SCHEMBL3563471

SCHEMBL3563471

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccccc1C#N

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 3/20 0.44
ALOX5 P09917 3/20 0.43
PTGES O14684 2/20 0.40
ALDH1A1 P00352 1/20 0.39
HTT P42858 1/20 0.39
SLC16A3 O15427 1/20 0.39
RARB P10826 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3562738 0.96 ALOX5 (0.45) TAS2R14ALOX5PTGESALDH1A1SLC16A3
SCHEMBL3555950 0.85 TAS2R14 (0.46) TAS2R14ALOX5PTGESALDH1A1SLC16A3
SCHEMBL3560865 0.84 ALOX5 (0.57) TAS2R14ALOX5PTGESALDH1A1RARB
SCHEMBL3554681 0.84 SLC16A3 (0.55) ALOX5PTGESSLC16A3RARBL3MBTL1
SCHEMBL3555861 0.82 SLC16A3 (0.44) ALOX5PTGESHTTSLC16A3RARB
SCHEMBL3563720 0.82 ALOX5 (0.45) ALOX5PTGESALDH1A1SLC16A3
SCHEMBL3564284 0.82 ALOX5 (0.58) TAS2R14ALOX5PTGESRARBL3MBTL1
SCHEMBL3557378 0.82 ALOX5 (0.58) TAS2R14ALOX5PTGESL3MBTL1
SCHEMBL3553576 0.82 ALOX5 (0.47) TAS2R14ALOX5PTGESALDH1A1SLC16A3
SCHEMBL3554627 0.81 ALOX5 (0.57) TAS2R14ALOX5PTGESL3MBTL1

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 3203/4885ALOX5 101/4885PTGES 150/4885

“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.