SCHEMBL4482633

SCHEMBL4482633

COc1c(CN2CC[C@H](N(C)C)C2)cc(C(C)(C)C)cc1NC(=O)c1ccc(C)c(-n2cc(C(=O)O)nn2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.49
BCR P11274 9/20 0.49
CSK P41240 2/20 0.43
MAPK14 Q16539 2/20 0.43
BRAF P15056 8/20 0.41
HDAC1 Q13547 1/20 0.39
LYN P07948 3/20 0.38
RIPK2 O43353 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
RET P07949 1/20 0.38
PDGFRB P09619 1/20 0.38
ARAF P10398 1/20 0.38
NQO2 P16083 1/20 0.38
EPHA2 P29317 1/20 0.38
EPHB2 P29323 1/20 0.38
ABL2 P42684 1/20 0.38
FRK P42685 1/20 0.38
MAPKAPK2 P49137 1/20 0.38
IRAK1 P51617 1/20 0.38

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
SCHEMBL1378543 0.92 ABL1 (0.47) ABL1BCRCSKMAPK14BRAF
SCHEMBL4469261 0.87 BRAF (0.39) ABL1BCRBRAF
SCHEMBL4479455 0.87 ABL1 (0.46) ABL1BCRBRAF
SCHEMBL1414023 0.87 ABL1 (0.46) ABL1BCRCSKMAPK14BRAF
SCHEMBL4471194 0.86 BRAF (0.46) ABL1BCRBRAF
SCHEMBL4476761 0.86 BRAF (0.40) BRAF
SCHEMBL4478013 0.82 BRAF (0.40) BRAF
SCHEMBL4462221 0.81 BRAF (0.42) BRAF
SCHEMBL4469131 0.81 BRAF (0.46) ABL1BCRMAPK14BRAF
SCHEMBL4462636 0.80 BRAF (0.37) BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US claimed
EP-1692116-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2006-08-23 EP claimed
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-14 US claimed
WO-2005056535-A1 1,2,3-TRIAZOLE AMIDE DERIVATIVES AS INHIBITORS OF CYTOKINE PRODUCTION BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-06-23 WO claimed
US-7511042-B2 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2009-03-31 US disclosed
US-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-14 US 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-20050153972-A1 1-[5-(5-tert-Butyl-2-methoxy-3-methylsulfamoyl-phenylcarbamoyl)-2-methyl-phenyl]-1H-1,2,3-triazole-4-carboxylic acid (2,2-dimethyl-propyl)-amide; small molecule cytokine inhibitor; optimized efficacy, pharmacokinetic; antiinflammatory agent, osteoarthritis, asthma, gastrointestinal, respiratory disorder IL1A, IL1R1, IL1RN ABL1 2932/4885BCR 2114/4885CSK 3242/4885

“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.