SCHEMBL7190899

SCHEMBL7190899

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(CO)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 17/20 0.55
FEN1 P39748 17/20 0.55
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
MMP3 P08254 1/20 0.47

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
SCHEMBL2280981 0.87 ALOX5AP (0.54) ALOX5APFEN1OPRM1OPRK1
SCHEMBL6630002 0.87 ALOX5AP (0.57) ALOX5APFEN1OPRM1OPRK1
SCHEMBL7266374 0.85 OPRM1 (0.54) ALOX5APFEN1OPRM1OPRK1MMP3
SCHEMBL6974699 0.85 ALOX5AP (0.53) ALOX5APFEN1OPRM1OPRK1MMP3
SCHEMBL7266847 0.84 ALOX5AP (0.55) ALOX5APFEN1OPRM1OPRK1MMP3
SCHEMBL6771873 0.84 EDNRA (0.58) ALOX5APFEN1OPRM1OPRK1
SCHEMBL1968159 0.84 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL6628076 0.83 ALOX5AP (0.59) ALOX5APFEN1
SCHEMBL5885311 0.81 ALOX5AP (0.58) ALOX5APFEN1
SCHEMBL890585 0.81 ALOX5AP (0.65) ALOX5APFEN1

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
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 WO 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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO ALOX5AP 1114/4885FEN1 1769/4885OPRM1 4651/4885

“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.