SCHEMBL4579668

SCHEMBL4579668

COc1ccc(C(=O)OCc2c(-c3cc(F)ccc3OC)ccc3c2NC(=O)C(C)(C)N3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL6 P05231 8/20 0.43
FLI1 Q01543 1/20 0.37
EWSR1 Q01844 1/20 0.37
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
KDR P35968 1/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
HSP90AA1 P07900 1/20 0.35
MAPT P10636 1/20 0.35
XBP1 P17861 1/20 0.35
ALOX12 P18054 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL4147347 0.93 IL6 (0.45) IL6LMNARXFP1MAPTCREBBP
SCHEMBL4140234 0.92 IL6 (0.44) IL6ALDH1A1KDM4ELMNATP53
SCHEMBL4581888 0.87 IL6 (0.43) IL6KDM4ERXFP1KMT2APOLB
SCHEMBL4579741 0.86 IL6 (0.41) IL6ALDH1A1KDM4ELMNATP53
SCHEMBL4581813 0.84 IL6 (0.46) IL6ALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL4135970 0.84 IL6 (0.43) IL6ALDH1A1LMNAKMT2APOLB
SCHEMBL4579252 0.84 IL6 (0.42) IL6ALDH1A1KDM4ELMNARXFP1
SCHEMBL4580647 0.84 IL6 (0.63) IL6ALDH1A1KDM4ELMNAATM
SCHEMBL4134307 0.82 STK10 (0.35) IL6ALDH1A1KDM4ELMNAKMT2A
SCHEMBL4582246 0.82 IL6 (0.50) IL6CREBBP

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-8975256-B2 1,2,3,4-tetrahydroquinoxaline compounds having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2015-03-10 US disclosed
US-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-11-14 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
EP-1995242-B1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY SANTEN PHARMACEUTICAL CO LTD (JP) 2012-11-07 EP disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 EP disclosed
EP-1995242-A1 NOVEL 1,2,3,4-TETRAHYDROQUINOXALINE DERIVATIVE HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY Santen Pharmaceutical Co., Ltd (JP) 2008-11-26 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 (2 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-20130303537-A1 1,2,3,4-TETRAHYDROQUINOXALINE COMPOUNDS HAVING GLUCOCORTICOID RECEPTOR BINDING ACTIVITY NR3C1, NR3C2, NR5A1 IL6 3798/4885FLI1 3038/4885EWSR1 1694/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R IL6 3728/4885FLI1 3264/4885EWSR1 1580/4885

“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.