SCHEMBL3558490

SCHEMBL3558490

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 5/20 0.56
TAS2R14 Q9NYV8 2/20 0.52
PTGES O14684 4/20 0.52
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
CNR2 P34972 2/20 0.48
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47
KMT2A Q03164 3/20 0.47
PTGER1 P34995 1/20 0.46
MEN1 O00255 2/20 0.46
LMNA P02545 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ESR1 P03372 1/20 0.46
CA12 O43570 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL3555251 0.96 ALOX5 (0.58) ALOX5TAS2R14PTGESPSEN1PSEN2
SCHEMBL3557378 0.94 ALOX5 (0.58) ALOX5TAS2R14PTGESPSEN1PSEN2
SCHEMBL3564284 0.94 ALOX5 (0.58) ALOX5TAS2R14PTGESCNR2KEAP1
SCHEMBL3560865 0.94 ALOX5 (0.57) ALOX5TAS2R14PTGESKEAP1NFE2L2
SCHEMBL3554627 0.93 ALOX5 (0.57) ALOX5TAS2R14PTGESPSEN1PSEN2
SCHEMBL3561595 0.92 ALOX5 (0.56) ALOX5TAS2R14PTGESPSEN1PSEN2
SCHEMBL3558336 0.91 ALOX5 (0.55) ALOX5TAS2R14PTGESPSEN1PSEN2
SCHEMBL3554230 0.90 ALOX5 (0.60) ALOX5TAS2R14PTGESKEAP1NFE2L2
SCHEMBL3557949 0.90 ALOX5 (0.60) ALOX5TAS2R14PTGESCNR2KEAP1
SCHEMBL3555271 0.90 ALOX5 (0.59) ALOX5TAS2R14PTGESKEAP1NFE2L2

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 101/4885TAS2R14 3203/4885PTGES 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.