SCHEMBL5882816

SCHEMBL5882816

N=C(N)c1ccc(NC(C(=O)O)c2ccc3c(c2)OCO3)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.57
ITGA2B P08514 2/20 0.57
F7 P08709 13/20 0.53
F3 P13726 12/20 0.53
F10 P00742 11/20 0.53
PRSS1 P07477 11/20 0.53
PRSS2 P07478 11/20 0.53
PRSS3 P35030 11/20 0.53
PLAU P00749 1/20 0.52
F2 P00734 11/20 0.50
MAPK9 P45984 1/20 0.47
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CASP3 P42574 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
PRMT1 Q99873 1/20 0.45

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
SCHEMBL5882716 0.93 F7 (0.54) ITGB3ITGA2BF7F3F10
SCHEMBL5882922 0.87 MAPK9 (0.46) ITGB3ITGA2BPLAUMAPK9NPC1
SCHEMBL7328683 0.83 RAB9A (0.59) MAPK9NPC1RAB9ACASP3SMN1; SMN2
Hydrochloric Acid SCHEMBL8113591 0.83 F2 (0.63) ITGB3ITGA2BF7F3F10
Hydrochloric Acid SCHEMBL7148044 0.83 F2 (0.63) ITGB3ITGA2BF7F3F10
SCHEMBL5881900 0.81 F7 (0.55) F7F3F10PRSS1PRSS2
SCHEMBL5882819 0.80 PTGS1 (0.47) F7F3F10PRSS1PRSS2
SCHEMBL31527696 0.80 EDNRA (0.48) ITGB3ITGA2BMAPK9
SCHEMBL5882351 0.80 SMN1; SMN2 (0.46) MAPK9NPC1RAB9ASMN1; SMN2
SCHEMBL5883122 0.78 F7 (0.57) F7F3F10PRSS1PRSS2

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 ITGB3 4814/4885ITGA2B 4812/4885F7 1019/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ITGB3 4814/4885ITGA2B 4812/4885F7 1019/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ITGB3 4814/4885ITGA2B 4812/4885F7 1019/4885

“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.