SCHEMBL5883573

SCHEMBL5883573

CCOc1ccc(OCc2cccc(C(=O)O)c2)c(C(Nc2ccc(C#N)cc2)C(=O)OC)c1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 18/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
TP53 P04637 2/20 0.53
PKM P14618 2/20 0.53
NFKB1 P19838 2/20 0.53
NFKB2 Q00653 2/20 0.53
RELA Q04206 2/20 0.53
RAB9A P51151 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
NPC1 O15118 1/20 0.43
MITF O75030 1/20 0.43
PAX8 Q06710 1/20 0.43

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
SCHEMBL5882835 0.87 MRGPRX4 (0.54) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL7414723 0.86 MRGPRX4 (0.50) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5883476 0.79 F10 (0.63) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL7418427 0.79 MRGPRX4 (0.52) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL7458644 0.77 MRGPRX4 (0.53) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5883187 0.77 F2 (0.45) SMN1; SMN2RAB9ANPC1
SCHEMBL5882330 0.77 CYSLTR2 (0.42)
SCHEMBL7145663 0.77 F2 (0.52) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL4684138 0.75 MRGPRX4 (0.70) MRGPRX4SMN1; SMN2TP53PKMNFKB1
SCHEMBL5882928 0.75 F10 (0.41) SMN1; SMN2TP53

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 MRGPRX4 303/4885SMN1; SMN2 2406/4885TP53 1487/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX4 303/4885SMN1; SMN2 2406/4885TP53 1487/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS MRGPRX4 303/4885SMN1; SMN2 2406/4885TP53 1487/4885

“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.