SCHEMBL5883360

SCHEMBL5883360

CCc1ccc(OCC(=O)O)c(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.43
AKR1B1 P15121 1/20 0.43
HIF1A Q16665 1/20 0.38
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
PRSS2 P07478 2/20 0.37
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
PRSS3 P35030 2/20 0.37
F2 P00734 1/20 0.37
CYP2A6 P11509 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 1/20 0.36

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
SCHEMBL5882365 0.92 F10 (0.40) PTGDR2AKR1B1HIF1AF10PRSS1
SCHEMBL5882525 0.90 KMT2A (0.38) HIF1AF10PRSS1PRSS2F7
SCHEMBL5883198 0.89 F10 (0.36) PTGDR2HIF1AF10PRSS1PRSS2
SCHEMBL5882725 0.88 F2 (0.50) F10PRSS1PRSS2F7F3
SCHEMBL5882381 0.88 PDGFRB (0.39) HIF1AF10PRSS1PRSS2F7
SCHEMBL5882439 0.88 SIRT2 (0.36) HIF1AF10PRSS1PRSS2F7
SCHEMBL5882443 0.88 SIRT2 (0.36) HIF1AF10PRSS1PRSS2F7
SCHEMBL5882438 0.87 EPHX2 (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5882432 0.87 EPHX2 (0.37) F10PRSS1PRSS2F7F3
SCHEMBL5883261 0.86 PTGES (0.37) HIF1AF10PRSS1PRSS2F7

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 PTGDR2 1654/4885AKR1B1 3389/4885HIF1A 1536/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885AKR1B1 3389/4885HIF1A 1536/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS PTGDR2 1654/4885AKR1B1 3389/4885HIF1A 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.