SCHEMBL3556562

SCHEMBL3556562

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

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.57
PTGES O14684 2/20 0.57
TAS2R14 Q9NYV8 7/20 0.49
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
CNR2 P34972 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.43
RARB P10826 2/20 0.42
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA9 Q16790 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
SLC22A8 Q8TCC7 1/20 0.42
ABCC2 Q92887 1/20 0.42
SLC22A12 Q96S37 1/20 0.42
UGT1A7 Q9HAW7 1/20 0.42
SLC22A11 Q9NSA0 1/20 0.42

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
SCHEMBL3557949 0.93 ALOX5 (0.60) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3554230 0.93 ALOX5 (0.60) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3555271 0.93 ALOX5 (0.59) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3553929 0.91 ALOX5 (0.58) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3555251 0.91 ALOX5 (0.58) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3552963 0.90 ALOX5 (0.57) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3561234 0.90 ALOX5 (0.54) ALOX5PTGESKEAP1NFE2L2TRPM8
SCHEMBL3563438 0.90 ALOX5 (0.49) ALOX5PTGESTAS2R14TRPM8RARB
SCHEMBL3564284 0.89 ALOX5 (0.58) ALOX5PTGESTAS2R14KEAP1NFE2L2
SCHEMBL3557378 0.89 ALOX5 (0.58) ALOX5PTGESTAS2R14KEAP1NFE2L2

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 101/4885PTGES 150/4885TAS2R14 3203/4885

“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.