SCHEMBL4465334

SCHEMBL4465334

COc1cc(N(OC)C(=O)c2ccc(C)c(-n3cc(C(=O)O)nn3)c2)cc(C(C)(C)C)c1

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 6/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
BRAF P15056 4/20 0.34
DDT P30046 1/20 0.33
NOTUM Q6P988 1/20 0.32

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
SCHEMBL4478022 0.91 RXRA (0.37) NR1I2BRAFNOTUM
SCHEMBL4501468 0.90 BRAF (0.34) NR1I2BRAFNOTUM
SCHEMBL4484187 0.89 NR1I2 (0.38) NR1I2ALDH1A1L3MBTL1BRAFNOTUM
SCHEMBL4462964 0.88 BRAF (0.33) ALDH1A1L3MBTL1BRAFNOTUM
SCHEMBL4508141 0.88 ESRRA (0.38) BRAFNOTUM
SCHEMBL4471365 0.87 BRAF (0.33) BRAFNOTUM
SCHEMBL4467274 0.87 GPR119 (0.38) NR1I2
SCHEMBL4466806 0.87 BRAF (0.41) BRAF
SCHEMBL4559071 0.86 BRAF (0.35) BRAF
SCHEMBL4475313 0.85 BRAF (0.34) NR1I2ALDH1A1L3MBTL1BRAFNOTUM

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-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
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
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 NR1I2 100/4885ALDH1A1 406/4885L3MBTL1 3366/4885

“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.