SCHEMBL5882813

SCHEMBL5882813

CCc1ccc(OCc2cc(F)ccc2F)c([C@@H](Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.38
BRD4 O60885 1/20 0.37
HIF1A Q16665 1/20 0.37
F2 P00734 2/20 0.36
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36
PRSS2 P07478 2/20 0.36
F7 P08709 2/20 0.36
F3 P13726 2/20 0.36
PRSS3 P35030 2/20 0.36
CACNA1C Q13936 1/20 0.36
PTGER1 P34995 1/20 0.35
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 2/20 0.35
PPARA Q07869 1/20 0.35
SGMS2 Q8NHU3 1/20 0.34
MME P08473 1/20 0.34
ACE P12821 1/20 0.34
CPA1 P15085 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL5882806 1.00 MAPK14 (0.38) MAPK14BRD4HIF1AF2F10
SCHEMBL5883891 0.88 F2 (0.40) HIF1AF2F10PRSS1PRSS2
SCHEMBL5883896 0.88 F2 (0.40) HIF1AF2F10PRSS1PRSS2
SCHEMBL5883631 0.85 PTGES (0.41) BRD4HIF1ACACNA1CPPARA
SCHEMBL5883628 0.85 PTGES (0.41) BRD4HIF1ACACNA1CPPARA
SCHEMBL5883188 0.85 PRSS1 (0.53) F2F10PRSS1PRSS2F7
SCHEMBL5883193 0.85 PRSS1 (0.53) F2F10PRSS1PRSS2F7
SCHEMBL5881792 0.85 MME (0.33) MAPK14BRD4HIF1AF10PRSS1
SCHEMBL5881787 0.85 MME (0.33) MAPK14BRD4HIF1AF10PRSS1
SCHEMBL5882725 0.84 F2 (0.50) F2F10PRSS1PRSS2F7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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
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 (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-20040034231-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPK14 2547/4885BRD4 1387/4885HIF1A 1536/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPK14 2547/4885BRD4 1387/4885HIF1A 1536/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MAPK14 2547/4885BRD4 1387/4885HIF1A 1536/4885

“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.