SCHEMBL3563898

SCHEMBL3563898

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
TRPM8 Q7Z2W7 8/20 0.51
PTGER1 P34995 2/20 0.50
PTGES O14684 2/20 0.48
KEAP1 Q14145 2/20 0.45
NFE2L2 Q16236 2/20 0.45
ESR1 P03372 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL3561234 0.96 ALOX5 (0.54) ALOX5TRPM8PTGER1PTGESKEAP1
SCHEMBL3557886 0.92 TRPM8 (0.48) ALOX5TRPM8PTGER1PTGESL3MBTL1
SCHEMBL3552544 0.91 ALOX5 (0.53) ALOX5TRPM8PTGESKEAP1NFE2L2
SCHEMBL3557378 0.90 ALOX5 (0.58) ALOX5PTGESKEAP1NFE2L2ESR1
SCHEMBL3564284 0.90 ALOX5 (0.58) ALOX5TRPM8PTGESKEAP1NFE2L2
SCHEMBL3560865 0.90 ALOX5 (0.57) ALOX5PTGESKEAP1NFE2L2ESR1
SCHEMBL3559141 0.90 MEN1 (0.48) ALOX5TRPM8PTGER1PTGESL3MBTL1
SCHEMBL3552553 0.90 ALOX5 (0.52) ALOX5TRPM8PTGER1PTGESKEAP1
SCHEMBL3554627 0.89 ALOX5 (0.57) ALOX5TRPM8PTGESKEAP1NFE2L2
SCHEMBL3561595 0.88 ALOX5 (0.56) ALOX5TRPM8PTGESKEAP1NFE2L2

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 101/4885TRPM8 3817/4885PTGER1 39/4885

“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.