SCHEMBL3564284

SCHEMBL3564284

CCCCc1ccc(S(=O)(=O)N(CCCC)c2ccccc2CCc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 4/20 0.58
KEAP1 Q14145 1/20 0.54
NFE2L2 Q16236 1/20 0.54
PTGES O14684 3/20 0.53
RARB P10826 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ESR1 P03372 1/20 0.47
CA12 O43570 1/20 0.46
CA2 P00918 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA9 Q16790 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
SLC22A8 Q8TCC7 1/20 0.46
ABCC2 Q92887 1/20 0.46
SLC22A12 Q96S37 1/20 0.46
UGT1A7 Q9HAW7 1/20 0.46
SLC22A11 Q9NSA0 1/20 0.46
TAS2R14 Q9NYV8 2/20 0.46
MEN1 O00255 2/20 0.45

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 0.96 ALOX5 (0.60) ALOX5KEAP1NFE2L2PTGESRARB
SCHEMBL3557378 0.96 ALOX5 (0.58) ALOX5KEAP1NFE2L2PTGESL3MBTL1
SCHEMBL3560865 0.96 ALOX5 (0.57) ALOX5KEAP1NFE2L2PTGESRARB
SCHEMBL3554627 0.95 ALOX5 (0.57) ALOX5KEAP1NFE2L2PTGESL3MBTL1
SCHEMBL3561595 0.94 ALOX5 (0.56) ALOX5KEAP1NFE2L2PTGESL3MBTL1
SCHEMBL3558490 0.94 ALOX5 (0.56) ALOX5KEAP1NFE2L2PTGESL3MBTL1
SCHEMBL3558336 0.93 ALOX5 (0.55) ALOX5KEAP1NFE2L2PTGESL3MBTL1
SCHEMBL3554230 0.92 ALOX5 (0.60) ALOX5KEAP1NFE2L2PTGESRARB
SCHEMBL3555271 0.92 ALOX5 (0.59) ALOX5KEAP1NFE2L2PTGESRARB
SCHEMBL3553534 0.91 ALOX5 (0.53) ALOX5KEAP1NFE2L2PTGESL3MBTL1

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 101/4885KEAP1 1284/4885NFE2L2 896/4885

“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.