SCHEMBL5883593

SCHEMBL5883593

CCc1cc(NS(=O)(=O)c2ccccc2)cc(C(Nc2ccc(C#N)cc2)C(=O)O)c1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.45
KDM1A O60341 1/20 0.44
CYP19A1 P11511 1/20 0.43
SMARCA2 P51531 1/20 0.43
PGR P06401 1/20 0.41
ATIC P31939 1/20 0.41
EEF2K O00418 1/20 0.41
GPR27 Q9NS67 2/20 0.41
BRPF1 P55201 2/20 0.41
AVPR2 P30518 1/20 0.41
METAP2 P50579 1/20 0.40
KAT6A Q92794 1/20 0.40
CXCR2 P25025 1/20 0.40
BRD4 O60885 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC1 Q13547 1/20 0.39
MCL1 Q07820 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL5883233 0.84 F7 (0.45) ALDH1A1
SCHEMBL5883128 0.83 F2 (0.54)
SCHEMBL27504343 0.83 METAP2 (0.39) METAP2ALDH1A1HDAC1MCL1
Hydrochloric Acid SCHEMBL5883449 0.83 F2 (0.54)
SCHEMBL5882428 0.82 PRSS1 (0.36) SMARCA2CXCR2ALDH1A1MCL1
SCHEMBL5883404 0.80 F7 (0.42)
SCHEMBL5882940 0.79 F7 (0.46)
SCHEMBL5883106 0.79 F7 (0.47) PGRALDH1A1
SCHEMBL5881981 0.77 F7 (0.48) ALDH1A1MCL1
SCHEMBL5882323 0.76 F2 (0.41) CYP19A1ALDH1A1

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 AR 3853/4885KDM1A 2027/4885CYP19A1 4803/4885
US-20010001799-A1 N-(4- carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS AR 3853/4885KDM1A 2027/4885CYP19A1 4803/4885
US-20030083504-A1 N- (4-carbamimidoyl-phenyl) -glycine derivatives GLRA1, NGLY1, GLS AR 3853/4885KDM1A 2027/4885CYP19A1 4803/4885

“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.