SCHEMBL5882745

SCHEMBL5882745

COc1cc(OC)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 5/20 0.48
F7 P08709 5/20 0.48
F3 P13726 5/20 0.48
PRSS1 P07477 4/20 0.48
PRSS2 P07478 4/20 0.48
PRSS3 P35030 4/20 0.48
MMP2 P08253 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MCL1 Q07820 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5882113 0.93 F10 (0.42) F10F7F3PRSS1PRSS2
SCHEMBL5881981 0.90 F7 (0.48) F10F7F3PRSS1PRSS2
SCHEMBL5882390 0.89 F10 (0.48) F10F7F3PRSS1PRSS2
SCHEMBL5882842 0.88 F10 (0.49) F10F7F3PRSS1PRSS2
SCHEMBL5882341 0.88 F7 (0.43) F10F7F3PRSS1PRSS2
SCHEMBL5882429 0.87 F10 (0.46) F10F7F3PRSS1PRSS2
SCHEMBL5882556 0.86 F10 (0.66) F10F7F3PRSS1PRSS2
SCHEMBL5882523 0.86 MCHR1 (0.47) F10F7F3PRSS1PRSS2
SCHEMBL5883264 0.86 MEN1 (0.41) F10F7F3PRSS1PRSS2
SCHEMBL5882595 0.85 AKR1C3 (0.51) RXFP1ALDH1A1MAPTGAALMNA

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
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-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-7071212-B2 N-(4-carbamimidoyl-phenyl)-glycine derivatives HOFFMANN-LA ROCHE INC. (US) 2006-07-04 US disclosed
EP-1149069-B1 PHENYLGLYCINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2004-08-25 EP disclosed
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives ACKERMANN JEAN (CH) 2004-02-19 US disclosed
US-6683215-B2 TREATING THROMBOSIS, APOPLEXY, CARDIAC INFARCTION AND ARTERIOSCLEROSIS, WHICH ARE ASSOCIATED WITH COAGULATION FACTORS XA, IXA AND THROMBIN INDUCED BY FACTOR VIIA AND TISSUE FACTOR; ANTIINFLAMMATORY AGENTS HOFFMAN-LA ROCHE INC. 2004-01-27 US disclosed
EP-0921116-B1 N-(4-carbamimido-phenyl)-glycine amide derivatives HOFFMANN LA ROCHE (CH) 2003-06-18 EP 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
EP-1149069-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-10-31 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
US-6140353-A USED AS MEDICAMENTS FOR THE TREATMENT AND/OR PREVENTION OF THROMBOSES, APOPLEXY, CARDIAC INFARCTION, INFLAMMATION AND ARTERIOSCLEROSIS OR AS ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 2000-10-31 US disclosed
WO-2000035858-A1 PHENYLGLYCINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-06-22 WO disclosed
EP-0921116-A1 N-(4-carbamimido-phenyl)-glycine amide derivatives F. HOFFMANN-LA ROCHE AG (CH) 1999-06-09 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-20070037813-A1 Serine Protease Inhibitors TFPI, SPINT2, SERPINE1 F10 37/4885F7 17/4885F3 43/4885
US-20070037814-A1 ACYLSULFAMIDE INHIBITORS OF FACTOR VIIa TFPI, HABP2, TFPI2 F10 33/4885F7 4/4885F3 41/4885
US-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F10 520/4885F7 1019/4885F3 2017/4885

“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.