SCHEMBL3367291

SCHEMBL3367291

COc1ccc([C@H](c2ccc(OCC(=O)O)cc2)N(C=O)OCC2c3ccccc3-c3ccccc32)c(OC)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PTPN1 P18031 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ FABP5 Q01469 1/20 0.35
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ TSHR P16473 3/20 0.34
▸ HPGD P15428 2/20 0.34
▸ HTT P42858 1/20 0.34
▸ CTSA P10619 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ GPR55 Q9Y2T6 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL1000960 1.00 THRA (0.41) THRATHRBNPC1RAB9APTPN1
SCHEMBL6763707 0.90 L3MBTL1 (0.38) NPC1RAB9ALMNATSHRHPGD
SCHEMBL1623875 0.90 PTGS1 (0.36) FABP5TSHRHTTHSD17B10SMN1; SMN2
SCHEMBL6343747 0.90 PTGS1 (0.36) FABP5TSHRHTTHSD17B10SMN1; SMN2
SCHEMBL7314603 0.86 PPARG (0.38) FABP5TSHRHTTSMN1; SMN2MEN1
SCHEMBL6567974 0.79 FABP5 (0.37) NPC1RAB9AFABP5TSHRHPGD
SCHEMBL2131722 0.79 THRA (0.43) THRATHRBNPC1RAB9APTPN1
SCHEMBL3785947 0.79 NPC1 (0.44) THRATHRBNPC1RAB9APTPN1
SCHEMBL3367289 0.78 KMT2A (0.45) THRATHRBNPC1RAB9APTPN1
SCHEMBL31146900 0.78 KMT2A (0.45) THRATHRBNPC1RAB9APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015022283-A1 YAP-TEAD INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2015-02-19 — — WO disclosed
EP-1114061-B1 FACTOR VIIa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2010-03-10 — — EP disclosed
US-7393849-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2008-07-01 — — US disclosed
US-7323457-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2008-01-29 — — US disclosed
US-20070208008-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. (US) 2007-09-06 — — US disclosed
US-20070191347-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. 2007-08-16 — — US disclosed
US-7223763-B2 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. (US) 2007-05-29 — — US disclosed
EP-1423373-B1 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMA INC (US) 2005-10-19 — — EP disclosed
US-20040204582-A1 Substituted sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. 2004-10-14 — — US disclosed
US-6777577-B2 ANTICANCER AGENTS; ANTIDIABETIC AGENTS, ANTICHOLESTEROL AGENTS, CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AVENTIS PHARMACEUTICALS INC. 2004-08-17 — — US disclosed
EP-1423373-A2 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY Aventis Pharmaceuticals, Inc. (US) 2004-06-02 — — EP disclosed
US-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis ARIAD PHARMACEUTICALS INC. 2004-01-22 — — US disclosed
US-20030087832-A1 Substituted amides, sulfonamides and ureas useful for inhibiting kinase activity AVENTIS PHARMACEUTICALS INC. 2003-05-08 — — US disclosed
US-20030045480-A1 Method of treating hyperresorptive bone disorders ARIAD PHARMACEUTICALS, INC. 2003-03-06 — — US disclosed
WO-2003006444-A2 SUBSTITUTED AMIDES, SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY AVENTIS PHARMACEUTICALS INC. (US) 2003-01-23 — — WO disclosed
US-6287794-B1 Factor Vlla inhibitors AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2001-09-11 — — US disclosed
EP-1114061-A1 FACTOR VIIa INHIBITORS Aventis Pharma Deutschland GmbH (DE) 2001-07-11 — — EP disclosed
US-6132953-A PREPARING IN SOLUTION A MIXTURE OF SYNTHONS, INTERMEDIATES OR PRODUCTS WHICH ARE ATTACHED TO SUPPORTS; SEPARATING MIXTURE FROM REACTION MEDIA BY SIZE-EXCLUSION METHOD; FLEXIBILITY OF SOLUTION PHASE SYNTHESIS AND FACILE HOMOGENEOUS PURIFICATION MERCK & CO., INC. (US) 2000-10-17 — — US disclosed
WO-2000015658-A1 FACTOR VIIa INHIBITORS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-03-23 — — WO 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 (6 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-20070208008-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY CHUK, SRC, DSTYK THRA 2002/4885THRB 1499/4885NPC1 4486/4885
US-20040204582-A1 Substituted sulfonamides and ureas useful for inhibiting kinase activity CHUK, SRC, DSTYK THRA 1974/4885THRB 1512/4885NPC1 4422/4885
US-20030045480-A1 Method of treating hyperresorptive bone disorders SRC, GRB2, ACP1 THRA 1481/4885THRB 937/4885NPC1 4321/4885
US-20070191347-A1 SUBSTITUTED SULFONAMIDES AND UREAS USEFUL FOR INHIBITING KINASE ACTIVITY CHUK, SRC, DSTYK THRA 2002/4885THRB 1499/4885NPC1 4486/4885
US-20040014676-A1 SRC kinase inhibitors useful for treating osteoporosis SRC, CTTN, YES1 THRA 969/4885THRB 793/4885NPC1 3021/4885
US-20030087832-A1 Substituted amides, sulfonamides and ureas useful for inhibiting kinase activity SRC, CHUK, DSTYK THRA 1525/4885THRB 1655/4885NPC1 4154/4885

“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.

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