SCHEMBL3560770

SCHEMBL3560770

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

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 3/20 0.51
TAS2R14 Q9NYV8 7/20 0.51
KEAP1 Q14145 1/20 0.48
NFE2L2 Q16236 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALOX5 P09917 1/20 0.46
PTGER4 P35408 2/20 0.44
LPAR1 Q92633 1/20 0.44
LPAR5 Q9H1C0 1/20 0.44
PTGER1 P34995 2/20 0.43
PGR P06401 1/20 0.43

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
SCHEMBL3557072 0.96 PTGER2 (0.52) PTGER2TAS2R14KEAP1NFE2L2SMN1; SMN2
SCHEMBL3554237 0.90 TAS2R14 (0.57) TAS2R14KEAP1L3MBTL1ALOX5PTGER1
SCHEMBL3560865 0.88 ALOX5 (0.57) TAS2R14KEAP1NFE2L2SMN1; SMN2L3MBTL1
SCHEMBL3560759 0.88 ALOX5 (0.48) TAS2R14KEAP1NFE2L2SMN1; SMN2L3MBTL1
SCHEMBL3551118 0.87 TAS2R14 (0.51) TAS2R14SMN1; SMN2ALOX5PTGER1
SCHEMBL3561608 0.87 TAS2R14 (0.48) PTGER2TAS2R14KEAP1NFE2L2SMN1; SMN2
SCHEMBL3552576 0.86 SLC16A3 (0.55) PTGER2TAS2R14KEAP1NFE2L2L3MBTL1
SCHEMBL3561817 0.86 ALDH1A1 (0.46) PTGER2TAS2R14SMN1; SMN2PTGER4PTGER1
SCHEMBL3559141 0.85 MEN1 (0.48) PTGER2L3MBTL1ALOX5PTGER4PTGER1
SCHEMBL3555271 0.85 ALOX5 (0.59) TAS2R14KEAP1NFE2L2SMN1; SMN2L3MBTL1

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 3203/4885KEAP1 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.