SCHEMBL3562326

SCHEMBL3562326

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 3/20 0.53
ALOX5 P09917 3/20 0.46
PTGES O14684 2/20 0.46
KEAP1 Q14145 2/20 0.43
NFE2L2 Q16236 2/20 0.43
RARB P10826 5/20 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
EP300 Q09472 1/20 0.41
KAT5 Q92993 1/20 0.41
KAT8 Q9H7Z6 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.40
TSHR P16473 1/20 0.40

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
SCHEMBL3554681 0.96 SLC16A3 (0.55) SLC16A3ALOX5PTGESKEAP1NFE2L2
SCHEMBL3555861 0.87 SLC16A3 (0.44) SLC16A3ALOX5PTGESKEAP1NFE2L2
SCHEMBL3558035 0.87 TSHR (0.49) SLC16A3ALOX5PTGESALDH1A1MAPT
SCHEMBL3553576 0.87 ALOX5 (0.47) SLC16A3ALOX5PTGESRARBMEN1
SCHEMBL3555271 0.85 ALOX5 (0.59) ALOX5PTGESKEAP1NFE2L2RARB
SCHEMBL3558519 0.84 ALOX5 (0.45) SLC16A3ALOX5PTGESRARBMEN1
SCHEMBL3562738 0.84 ALOX5 (0.45) SLC16A3ALOX5PTGESRARBMEN1
SCHEMBL3555107 0.84 ALOX5 (0.48) ALOX5PTGESKEAP1RARBMEN1
SCHEMBL3554230 0.84 ALOX5 (0.60) ALOX5PTGESKEAP1NFE2L2RARB
SCHEMBL3557949 0.84 ALOX5 (0.60) ALOX5PTGESKEAP1NFE2L2RARB

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.