SCHEMBL3557072

SCHEMBL3557072

CCCCCCCN(c1ccccc1CCc1ccc(C(=O)O)cc1)S(=O)(=O)c1cccc(OC)c1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 4/20 0.52
TAS2R14 Q9NYV8 7/20 0.49
ALOX5 P09917 3/20 0.48
PTGES O14684 2/20 0.48
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.45
PTGER4 P35408 3/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 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
SCHEMBL3560770 0.96 PTGER2 (0.51) PTGER2TAS2R14ALOX5KEAP1NFE2L2
SCHEMBL3555271 0.89 ALOX5 (0.59) TAS2R14ALOX5PTGESKEAP1NFE2L2
SCHEMBL3568000 0.88 ALOX5 (0.50) TAS2R14ALOX5PTGESKEAP1NFE2L2
SCHEMBL3554109 0.88 ALOX5 (0.50) TAS2R14ALOX5PTGESSMN1; SMN2
SCHEMBL3563438 0.88 ALOX5 (0.49) TAS2R14ALOX5PTGESSMN1; SMN2
SCHEMBL3555258 0.86 SLC16A3 (0.53) ALOX5PTGESKEAP1NFE2L2
SCHEMBL3554237 0.86 TAS2R14 (0.57) TAS2R14ALOX5PTGESKEAP1L3MBTL1
SCHEMBL3562118 0.86 ALDH1A1 (0.44) PTGER2TAS2R14ALOX5PTGESSMN1; SMN2
SCHEMBL3558559 0.85 ALOX5 (0.47) PTGER2ALOX5PTGESPTGER4
SCHEMBL3554230 0.85 ALOX5 (0.60) TAS2R14ALOX5PTGESKEAP1NFE2L2

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 PTGER2 405/4885TAS2R14 3203/4885ALOX5 101/4885

“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.