SCHEMBL6006085

SCHEMBL6006085

CC(c1ccc(C(=O)O)cc1)c1nc(C(C)(C)C)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 7/20 0.39
PTGES O14684 1/20 0.38
ALOX5 P09917 1/20 0.38
ALOX5AP P20292 1/20 0.38
LTC4S Q16873 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
NR1H4 Q96RI1 2/20 0.37

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
SCHEMBL6007153 0.90 ALOX5AP (0.41) PTGER4PTGESALOX5ALOX5APLTC4S
SCHEMBL6006219 0.89 AGTR1 (0.32) ALOX5AP
SCHEMBL6005747 0.89 NR1H4 (0.40) IDO1TDO2NR1H4
SCHEMBL6004771 0.88 AGTR1 (0.40) PTGESALOX5ALOX5APLTC4SIDO1
SCHEMBL6004136 0.88 ALOX5AP (0.43) PTGER4PTGESALOX5ALOX5APLTC4S
SCHEMBL6007292 0.87 PTGES (0.38) PTGER4PTGESALOX5ALOX5APLTC4S
SCHEMBL6006857 0.87 AGTR1 (0.42)
SCHEMBL6004356 0.86 AGTR1 (0.43) NR1H4
SCHEMBL6007171 0.86 ALOX5AP (0.39) PTGESALOX5ALOX5APLTC4SIDO1
SCHEMBL6006087 0.86 BRS3 (0.41)

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132437-B2 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE (US) 2006-11-07 US disclosed
US-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure G.D. SEARLE & CO., 2004-11-04 US disclosed
US-5217985-A RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G. D. SEARLE & CO. (US) 1993-06-08 US disclosed
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 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 (1 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-20040220245-A1 for example, methyl 4'-[(3,5-dibutyl-1H-1,2,4-triazol-1-yl)methyl][1,1'-biphenyl]-2-carboxylate; for treatment of congestive heart failure GLS, AGTR1, AGTR2 PTGER4 926/4885PTGES 1868/4885ALOX5 1670/4885

“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.