SCHEMBL450773

SCHEMBL450773

COc1cc(OS(=O)(=O)c2ccccc2)ccc1-c1ccc2c(c1COc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.71
L3MBTL1 Q9Y468 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CNR2 P34972 2/20 0.33
PLA2G7 Q13093 1/20 0.32
SYK P43405 1/20 0.31
PTPN1 P18031 1/20 0.30
GRM5 P41594 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
PTBP1 P26599 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3105915 0.94 IL6 (0.68) IL6L3MBTL1MAPTALDH1A1HPGD
SCHEMBL3113782 0.93 IL6 (0.69) IL6L3MBTL1MAPTALDH1A1HPGD
SCHEMBL3109140 0.92 IL6 (0.67) IL6CNR2
SCHEMBL3116542 0.92 IL6 (0.70) IL6CNR2PLA2G7SYKMEN1
SCHEMBL3109400 0.91 IL6 (0.69) IL6PLA2G7SYK
SCHEMBL447043 0.91 IL6 (0.75) IL6PLA2G7
SCHEMBL449547 0.90 IL6 (0.76) IL6PLA2G7
SCHEMBL449590 0.90 IL6 (0.68) IL6HTTPLA2G7
SCHEMBL446106 0.90 IL6 (0.69) IL6L3MBTL1CNR2MEN1KMT2A
SCHEMBL451854 0.90 IL6 (0.76) IL6PLA2G7

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US claimed
EP-2151436-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-24 EP claimed
US-8193187-B2 1,2,3,4-tetrahydroquinoxaline compound with a phenyl group substituent having a sulfonic acid ester structure or a sulfonic acid amide structure introduced therein and having glucocorticoid receptor-binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US claimed
US-20120129866-A1 METHODS FOR PREVENTING OR TREATING METABOLIC DISEASES, INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, ALLERGIC DISEASES, CENTRAL NERVOUS SYSTEM DISEASES, CARDIOVASCULAR DISEASES, HOMEOSTASIS-RELATED DISEASES OR GLAUCOMA SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-05-24 US claimed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US claimed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP claimed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
US-8569493-B2 Method for treating a homeostasis-related disease or glaucoma by administering a 1,2,3,4-tetrahyroquinoxaline compound SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-29 US disclosed
EP-2151436-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2013-04-24 EP disclosed
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN SOLTA MEDICAL IRELAND LIMITED (IE) 2012-12-13 US disclosed
US-8193187-B2 1,2,3,4-tetrahydroquinoxaline compound with a phenyl group substituent having a sulfonic acid ester structure or a sulfonic acid amide structure introduced therein and having glucocorticoid receptor-binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-8193187-B2 1,2,3,4-tetrahydroquinoxaline compound with a phenyl group substituent having a sulfonic acid ester structure or a sulfonic acid amide structure introduced therein and having glucocorticoid receptor-binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2012-06-05 US disclosed
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE SOLTA MEDICAL, INC. 2012-03-15 US disclosed
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain 1261229 B.C. LTD. (CA) 2011-11-17 US disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2010-06-03 US disclosed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP disclosed
EP-2151436-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED THEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2010-02-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120129866-A1 METHODS FOR PREVENTING OR TREATING METABOLIC DISEASES, INFLAMMATORY DISEASES, AUTOIMMUNE DISEASES, ALLERGIC DISEASES, CENTRAL NERVOUS SYSTEM DISEASES, CARDIOVASCULAR DISEASES, HOMEOSTASIS-RELATED DISEASES OR GLAUCOMA GPR39, ACOX1, ATXN2L IL6 1153/4885L3MBTL1 2113/4885MAPT 3192/4885
US-20110281882-A1 Compositions and Methods for Treating, Controlling, Reducing, or Ameliorating Inflammatory Pain PTGIR, MC2R, NR3C1 IL6 399/4885L3MBTL1 4790/4885MAPT 2774/4885
US-20120065228-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING OCULAR INFLAMMATORY WITH LOWER RISK OF INCREASED INTRAOCULAR PRESSURE PTGIR, NR3C1, PTGDR IL6 371/4885L3MBTL1 4840/4885MAPT 2977/4885
US-20100137307-A1 NOVEL 1,2,3,4,-TETRAHYDROQUINOXALINE DERIVATIVE WHICH HAS, AS SUBSTITUENT, PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE OR SULFONIC ACID AMIDE STRUCTURE INTRODUCED TEREIN AND HAS GLUCOCORTICOID RECEPTOR-BINDING ACTIVITY NR3C2, NR3C1, NR5A1 IL6 1624/4885L3MBTL1 4174/4885MAPT 4806/4885
US-20120316199-A1 COMPOSITIONS AND METHODS FOR TREATING, CONTROLLING, REDUCING, OR AMELIORATING INFLAMMATORY PAIN PTGIR, MC2R, NR3C1 IL6 399/4885L3MBTL1 4790/4885MAPT 2774/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.