SCHEMBL3555258

SCHEMBL3555258

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.53
ALOX5 P09917 4/20 0.52
PTGES O14684 3/20 0.52
CYSLTR1 Q9Y271 1/20 0.46
TRPM8 Q7Z2W7 2/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
RARB P10826 4/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
RARA P10276 1/20 0.41
MAPT P10636 1/20 0.41
MTOR P42345 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41

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
SCHEMBL3552576 0.96 SLC16A3 (0.55) SLC16A3ALOX5PTGESCYSLTR1TRPM8
SCHEMBL3554230 0.89 ALOX5 (0.60) ALOX5PTGESCA12CA2KEAP1
SCHEMBL3557949 0.89 ALOX5 (0.60) ALOX5PTGESCA12CA2KEAP1
SCHEMBL3555271 0.89 ALOX5 (0.59) ALOX5PTGESCA12CA2KEAP1
SCHEMBL3555251 0.88 ALOX5 (0.58) ALOX5PTGESKEAP1NFE2L2RARB
SCHEMBL3553929 0.88 ALOX5 (0.58) ALOX5PTGESCA12CA2KEAP1
SCHEMBL3568000 0.87 ALOX5 (0.50) ALOX5PTGESKEAP1NFE2L2RARB
SCHEMBL3561360 0.87 ALOX5 (0.55) ALOX5PTGESTRPM8CA12CA2
SCHEMBL3552963 0.87 ALOX5 (0.57) ALOX5PTGESTRPM8KEAP1NFE2L2
SCHEMBL3556562 0.87 ALOX5 (0.57) ALOX5PTGESTRPM8CA12CA2

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 SLC16A3 425/4885ALOX5 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.