SCHEMBL3555209

SCHEMBL3555209

CCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.46
TAS2R14 Q9NYV8 2/20 0.44
LPAR1 Q92633 1/20 0.43
LPAR5 Q9H1C0 1/20 0.43
PTGES O14684 2/20 0.42
RARB P10826 6/20 0.41
KEAP1 Q14145 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLK1 P53350 1/20 0.39
PLK3 Q9H4B4 1/20 0.39
LMNA P02545 1/20 0.39
EP300 Q09472 1/20 0.39
KAT5 Q92993 1/20 0.39
KAT8 Q9H7Z6 1/20 0.39
ESR1 P03372 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RARA P10276 1/20 0.39
MAPT P10636 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL3555107 0.96 ALOX5 (0.48) ALOX5TAS2R14LPAR1LPAR5PTGES
SCHEMBL3555950 0.91 TAS2R14 (0.46) ALOX5TAS2R14LPAR1LPAR5PTGES
SCHEMBL3551722 0.89 ALOX5 (0.47) ALOX5TAS2R14PTGESRARBKEAP1
SCHEMBL3560865 0.87 ALOX5 (0.57) ALOX5TAS2R14PTGESRARBKEAP1
SCHEMBL3553576 0.87 ALOX5 (0.47) ALOX5TAS2R14LPAR1LPAR5PTGES
SCHEMBL3561608 0.86 TAS2R14 (0.48) ALOX5TAS2R14PTGESKEAP1MEN1
SCHEMBL3561142 0.86 ALOX5 (0.44) ALOX5TAS2R14PTGESRARBKEAP1
SCHEMBL3558983 0.85 ALOX5 (0.42) ALOX5TAS2R14LPAR1LPAR5PTGES
SCHEMBL3564284 0.85 ALOX5 (0.58) ALOX5TAS2R14PTGESRARBKEAP1
SCHEMBL3557378 0.85 ALOX5 (0.58) ALOX5TAS2R14PTGESKEAP1MEN1

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 ALOX5 101/4885TAS2R14 3203/4885LPAR1 1882/4885

“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.