SCHEMBL5883577

SCHEMBL5883577

C=CCOc1c(Cl)cc(Cl)cc1C(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR5 P32302 1/20 0.39
MRGPRX4 Q96LA9 2/20 0.36
EEF2K O00418 1/20 0.36
MAPT P10636 6/20 0.35
TSHR P16473 2/20 0.35
HTT P42858 2/20 0.35
LMNA P02545 2/20 0.35
NLRP3 Q96P20 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MCL1 Q07820 1/20 0.35
GAA P10253 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
ALDH1A1 P00352 2/20 0.33
MMP2 P08253 1/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TMPRSS4 Q9NRS4 1/20 0.33
TAS1R3 Q7RTX0 1/20 0.33

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
SCHEMBL5881945 0.85 ACLY (0.38) MRGPRX4EEF2KMAPTTSHRHTT
SCHEMBL5882609 0.83 F10 (0.50) CXCR5
SCHEMBL5882901 0.83 MRGPRX4 (0.35) MRGPRX4EEF2KMAPTTSHRHTT
SCHEMBL5882910 0.83 HTT (0.40) MRGPRX4EEF2KMAPTTSHRHTT
SCHEMBL5882899 0.83 MRGPRX4 (0.35) MRGPRX4EEF2KMAPTTSHRHTT
SCHEMBL5882140 0.82 MRGPRX4 (0.37) MRGPRX4EEF2KMAPTTSHRHTT
Hydrochloric Acid SCHEMBL5883348 0.82 F10 (0.49) CXCR5
SCHEMBL5882712 0.80 ATF4 (0.43) LMNAKMT2AGAAALDH1A1GLA
SCHEMBL5882292 0.77 MAPT (0.36) MRGPRX4EEF2KMAPTTSHRHTT
SCHEMBL5882914 0.76 LMNA (0.35) MRGPRX4EEF2KMAPTTSHRHTT

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 CXCR5 738/4885MRGPRX4 303/4885EEF2K 4158/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CXCR5 738/4885MRGPRX4 303/4885EEF2K 4158/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS CXCR5 738/4885MRGPRX4 303/4885EEF2K 4158/4885

“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.