SCHEMBL5883013

SCHEMBL5883013

N=C(NO)c1ccc(NC(C(=O)O)c2ccc3ccccc3c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
F7 P08709 7/20 0.44
F10 P00742 6/20 0.44
F2 P00734 5/20 0.44
F3 P13726 4/20 0.44
PRSS1 P07477 4/20 0.44
PRSS2 P07478 3/20 0.44
PRSS3 P35030 3/20 0.44
MMP9 P14780 1/20 0.41
HDAC1 Q13547 2/20 0.40
RCE1 Q9Y256 2/20 0.40
TEAD4 Q15561 1/20 0.39
PDPK1 O15530 1/20 0.39
HDAC8 Q9BY41 1/20 0.38
CA1 P00915 1/20 0.38
NPC1 O15118 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL5881903 0.86 F7 (0.59) F7F10F2F3PRSS1
SCHEMBL5882436 0.86 AKR1C3 (0.49) F7F10F2F3PRSS1
SCHEMBL5882926 0.85 FPR2 (0.44) F7F10F2F3PRSS1
SCHEMBL5882309 0.79 F7 (0.43) F7F10F2F3PRSS1
SCHEMBL5883240 0.78 F7 (0.58) F7F10F2F3PRSS1
SCHEMBL5881894 0.77 HDAC6 (0.42) F7F10F2F3PRSS1
SCHEMBL5883990 0.77 ALDH1A1 (0.43) F7F10F2F3PRSS1
SCHEMBL5882819 0.77 PTGS1 (0.47) F7F10F2F3PRSS1
SCHEMBL5882922 0.77 MAPK9 (0.46) NPC1MAPTRAB9A
SCHEMBL5882319 0.77 KMT2A (0.53) F2PRSS1MMP9RCE1CA1

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 F7 1019/4885F10 520/4885F2 371/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F10 520/4885F2 371/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS F7 1019/4885F10 520/4885F2 371/4885

“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.