SCHEMBL3553534

SCHEMBL3553534

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.53
PTGES O14684 2/20 0.49
KEAP1 Q14145 1/20 0.45
NFE2L2 Q16236 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ESR1 P03372 1/20 0.43
CNR2 P34972 2/20 0.43
POLB P06746 1/20 0.43
CNR1 P21554 1/20 0.43
MCL1 Q07820 1/20 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

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
SCHEMBL3561360 0.96 ALOX5 (0.55) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3564284 0.91 ALOX5 (0.58) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3557378 0.91 ALOX5 (0.58) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3560865 0.91 ALOX5 (0.57) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3558336 0.90 ALOX5 (0.55) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3554627 0.90 ALOX5 (0.57) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3561595 0.89 ALOX5 (0.56) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3558490 0.89 ALOX5 (0.56) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3554230 0.87 ALOX5 (0.60) ALOX5PTGESKEAP1NFE2L2MEN1
SCHEMBL3557949 0.87 ALOX5 (0.60) ALOX5PTGESKEAP1NFE2L2MEN1

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 150/4885KEAP1 1284/4885

“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.