SCHEMBL449888

SCHEMBL449888

COc1cc(OS(=O)(=O)C2CC2)ccc1-c1ccc2c(c1CNc1cc(F)ccc1C)N(C)C(=O)C(C)(C)N2

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.56
KLK7 P49862 1/20 0.33
KLK5 Q9Y337 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HTT P42858 1/20 0.32
TSHR P16473 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
PLA2G7 Q13093 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
SCHEMBL1917122 0.97 IL6 (0.55) IL6KLK7KLK5ALDH1A1HTT
SCHEMBL6114581 0.93 IL6 (0.52) IL6PLA2G7
SCHEMBL447322 0.90 IL6 (0.46) IL6ALDH1A1KMT2A
SCHEMBL449185 0.88 IL6 (0.71) IL6ALDH1A1TSHRLMNANPSR1
SCHEMBL448822 0.88 IL6 (0.59) IL6KLK7KLK5
SCHEMBL1918261 0.87 IL6 (0.45) IL6ALDH1A1KMT2A
SCHEMBL1918345 0.86 IL6 (0.65) IL6KLK7KLK5ALDH1A1TSHR
SCHEMBL446983 0.86 IL6 (0.69) IL6ALDH1A1TSHRLMNANPSR1
SCHEMBL448823 0.85 IL6 (0.68) IL6ALDH1A1TSHRLMNANPSR1
SCHEMBL9883795 0.84 IL6 (0.51) IL6ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 US 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 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-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US claimed
EP-2327699-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-06-01 EP 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-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-8664221-B2 Method for treating an inflammatory disease by administering a 1,2,3,4- tetrahydroquinoxaline compound containing a phenyl group having a sulfonic acid ester structure introduced therein as a substituent SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-03-04 US disclosed
US-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2014-02-13 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
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-07-07 US disclosed
EP-2327699-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT Santen Pharmaceutical Co., Ltd (JP) 2011-06-01 EP 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

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

For each of this compound's patents that has machine-readable text (3 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-20140045842-A1 METHOD FOR TREATING AN INFLAMMATORY DISEASE BY ADMINISTERING A 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUND CONTAINING A PHENYL GROUP HAVING A SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS A SUBSTITUENT UACA, PKLR, CYSLTR1 IL6 23/4885KLK7 2449/4885KLK5 1763/4885
US-20110166151-A1 GLUCOCORTICOID RECEPTOR AGONIST COMPRISING 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVES CONTAINING PHENYL GROUP HAVING SULFONIC ACID ESTER STRUCTURE INTRODUCED THEREIN AS SUBSTITUENT NR3C1, GRK4, MC2R IL6 1109/4885KLK7 3336/4885KLK5 2590/4885
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 1624/4885KLK7 2460/4885KLK5 3366/4885

“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.