SCHEMBL5881945

SCHEMBL5881945

N#Cc1ccc(NC(C(=O)O)c2cc(Cl)cc(Cl)c2OCC(N)=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACLY P53396 2/20 0.38
MAPT P10636 4/20 0.37
KMT2A Q03164 4/20 0.37
GLA P06280 1/20 0.37
HPGD P15428 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.36
EEF2K O00418 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
F10 P00742 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
F7 P08709 1/20 0.36
F3 P13726 1/20 0.36
PRSS3 P35030 1/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 2/20 0.36
TSHR P16473 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MEN1 O00255 3/20 0.35
MCL1 Q07820 1/20 0.35

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
SCHEMBL5882910 0.88 HTT (0.40) MAPTKMT2AGLAHPGDMRGPRX4
SCHEMBL5883577 0.85 CXCR5 (0.39) MAPTKMT2AGLAHPGDMRGPRX4
SCHEMBL5882712 0.85 ATF4 (0.43) KMT2AGLAHPGDLMNAALDH1A1
SCHEMBL5882499 0.84 F10 (0.53) ACLYF10PRSS1PRSS2F7
SCHEMBL5882899 0.84 MRGPRX4 (0.35) MAPTKMT2AGLAHPGDMRGPRX4
SCHEMBL5882901 0.84 MRGPRX4 (0.35) MAPTKMT2AGLAHPGDMRGPRX4
Hydrochloric Acid SCHEMBL5882348 0.84 F10 (0.52) ACLYF10PRSS1PRSS2F7
SCHEMBL5882140 0.83 MRGPRX4 (0.37) MAPTKMT2AGLAHPGDMRGPRX4
SCHEMBL5883113 0.80 F10 (0.39) MAPTKMT2AF10PRSS1PRSS2
SCHEMBL5881943 0.78 F10 (0.53) F10PRSS1PRSS2F7F3

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 ACLY 1740/4885MAPT 1417/4885KMT2A 3023/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ACLY 1740/4885MAPT 1417/4885KMT2A 3023/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS ACLY 1740/4885MAPT 1417/4885KMT2A 3023/4885

“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.