SCHEMBL4466131

SCHEMBL4466131

C[CH]c1cc(C(=O)O)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.49
TDP1 Q9NUW8 4/20 0.47
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
APEX1 P27695 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
MYC P01106 1/20 0.44
ESR1 P03372 1/20 0.44
ALOX15 P16050 1/20 0.44
PTPN7 P35236 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GRM1 Q13255 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
GAA P10253 2/20 0.42
TP53 P04637 1/20 0.42
HSP90AA1 P07900 1/20 0.42
ESR2 Q92731 1/20 0.42

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
SCHEMBL1175576 0.84 TDP1 (0.58) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL8528733 0.82 TSHR (0.47) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL15958968 0.82 TSHR (0.47) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL14724886 0.78 TSHR (0.44) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL12132608 0.77 TSHR (0.46) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL12132591 0.77 RARA (0.43) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL310259 0.76 CES2 (0.63) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL29421064 0.76 CES2 (0.63) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL6915812 0.74 CES2 (0.61) TSHRTDP1ALDH1A1POLBL3MBTL1
SCHEMBL6912208 0.74 CES2 (0.61) TSHRTDP1ALDH1A1POLBL3MBTL1

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 2 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 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 TSHR 304/4885TDP1 3199/4885ALDH1A1 406/4885

“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.