SCHEMBL3554237

SCHEMBL3554237

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc(OC)cc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 13/20 0.57
PTGES O14684 3/20 0.54
TAS2R8 Q9NYW2 1/20 0.54
CXCR3 P49682 1/20 0.54
KEAP1 Q14145 1/20 0.54
ALOX5 P09917 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.48
PTGER1 P34995 1/20 0.48

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
SCHEMBL3557111 0.92 ALOX5 (0.53) TAS2R14PTGESTAS2R8CXCR3KEAP1
SCHEMBL3557378 0.91 ALOX5 (0.58) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3564284 0.91 ALOX5 (0.58) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3560865 0.91 ALOX5 (0.57) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3554627 0.90 ALOX5 (0.57) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3560770 0.90 PTGER2 (0.51) TAS2R14KEAP1ALOX5L3MBTL1PTGER1
SCHEMBL3558490 0.89 ALOX5 (0.56) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3561595 0.89 ALOX5 (0.56) TAS2R14PTGESKEAP1ALOX5L3MBTL1
SCHEMBL3558815 0.89 TRPM8 (0.56) ALOX5PTGER1
SCHEMBL3558336 0.88 ALOX5 (0.55) TAS2R14PTGESCXCR3KEAP1ALOX5

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-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US claimed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 US claimed
US-7816397-B2 Phenylcarboxylic acid derivatives and use thereof for the treatment of diabetes MERCK PATENT GMBH (DE) 2010-10-19 US disclosed
US-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes MERCK PATENT GMBH (DE) 2008-02-21 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-20080045483-A1 Phenylcarboxylic Acid Derivatives and Use Thereof for the Treatment of Diabetes SLC5A1, ALDH7A1, ASS1 TAS2R14 3203/4885PTGES 150/4885TAS2R8 3103/4885

“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.