SCHEMBL3856774

SCHEMBL3856774

CCOc1cc(C(Nc2ccc(C#N)cc2)C(=O)O)ccc1OC(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F7 P08709 20/20 0.52
F3 P13726 19/20 0.52
F10 P00742 7/20 0.52
F2 P00734 5/20 0.52
PRSS1 P07477 2/20 0.52
PRSS2 P07478 2/20 0.52
PRSS3 P35030 2/20 0.52
F11 P03951 1/20 0.47

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
SCHEMBL5882260 0.92 F7 (0.58) F7F3F10F2PRSS1
SCHEMBL5882238 0.91 F7 (0.42) F7F3F10F2PRSS1
SCHEMBL5881839 0.91 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL5881843 0.91 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL7443963 0.91 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL4333411 0.91 F7 (0.49) F7F3F10F2PRSS1
SCHEMBL5882845 0.90 F7 (0.43) F7F3F10F2PRSS1
SCHEMBL5882965 0.89 F7 (0.56) F7F3F10F2PRSS1
SCHEMBL5882977 0.89 F7 (0.46) F7F3F10F2PRSS1
SCHEMBL5882528 0.88 F7 (0.48) F7F3F10F2PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7576098-B2 Heterocyclic compounds as inhibitors of factor VIIa BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-18 US disclosed
EP-1828152-B1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA BRISTOL MYERS SQUIBB CO (US) 2008-08-20 EP disclosed
EP-1828152-A2 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF FACTOR VIIA Bristol-Myers Squibb Company (US) 2007-09-05 EP disclosed
US-7250447-B2 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. (US) 2007-07-31 US disclosed
US-7250447-B2 Acylsulfamide inhibitors of factor VIIa GENENTECH, INC. (US) 2007-07-31 US disclosed
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037813-A1 Serine Protease Inhibitors GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa GENENTECH, INC. (US) 2007-02-15 US disclosed
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2003-05-01 US disclosed
US-6476264-B2 ANTICOAGULANT HOFFMANN-LA ROCHE INC. 2002-11-05 US disclosed
US-6472393-B1 Serine protease inhibitors GENENTECH, INC. 2002-10-29 US disclosed
EP-1144373-A3 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2002-01-02 EP disclosed
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 EP disclosed
EP-1144373-A2 SERINE PROTEASE INHIBITORS Genentech, Inc. (US) 2001-10-17 EP disclosed
US-6242644-B1 FOR TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION, INFLAMATION AND ARTHEROSCLEROSIS HOFFMANN-LA ROCHE INC. 2001-06-05 US disclosed
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2001-05-24 US disclosed
WO-2000041531-A2 SERINE PROTEASE INHIBITORS GENENTECH, INC. (US) 2000-07-20 WO disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 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 (4 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-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 F7 17/4885F3 43/4885F10 37/4885
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa TFPI, HABP2, TFPI2 F7 4/4885F3 41/4885F10 33/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F3 2017/4885F10 520/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F3 2017/4885F10 520/4885

“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.