SCHEMBL4474996

SCHEMBL4474996

COc1c(NC(=O)c2ccc(C)c(-n3cc(C(=O)O)nn3)c2)cc(C(C)(C)C)cc1-n1cccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
ALDH1A1 P00352 3/20 0.40
MAPT P10636 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 1/20 0.38
BRAF P15056 9/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
KDM4E B2RXH2 2/20 0.36
GPR142 Q7Z601 2/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36

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
SCHEMBL4482380 0.91 BRAF (0.38) BRAFGPR142
SCHEMBL1384815 0.90 MEN1 (0.38) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL4478013 0.89 BRAF (0.40) BRAFGPR142
SCHEMBL4471464 0.88 LMNA (0.46) LMNABRAFGPR142ABL1
SCHEMBL4461651 0.88 GRM7 (0.41) ALDH1A1MAPTBRAFCYP1A2CYP2C19
SCHEMBL4471341 0.86 BRAF (0.38) LMNABRAFGPR142
SCHEMBL4465326 0.86 P4HTM (0.41) MEN1MAPTKMT2ABRAF
SCHEMBL4501456 0.85 BRAF (0.40) BRAFGPR142
SCHEMBL1404780 0.84 MEN1 (0.37) MEN1ALDH1A1MAPTKMT2ANPSR1
SCHEMBL4462955 0.84 BRAF (0.39) BRAFGPR142

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 MEN1 2595/4885ALDH1A1 406/4885MAPT 2574/4885

“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.