SCHEMBL7181981

SCHEMBL7181981

COP(=O)(OC)c1cc(-c2ccc(CBr)cc2)ccc1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.44
▸ PTGS1 P23219 1/20 0.39
▸ ALOX5 P09917 2/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ TSHR P16473 2/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ PTPN11 Q06124 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.33
▸ TOP1 P11387 1/20 0.33
▸ LTA4H P09960 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL7527444 0.85 HPGD (0.39) TSHRPTPN1PTPN6PTPN11KDM4E
SCHEMBL7188818 0.84 CFD (0.45) CFDBACE1TSHRKDM4EALDH1A1
SCHEMBL7181991 0.81 CFD (0.42) CFDPTGS1ALOX5BACE1CYP4F2
SCHEMBL7187999 0.80 PTPN11 (0.44) PTPN1PTPN6PTPN11KDM4EALDH1A1
SCHEMBL7189507 0.79 PDE4A (0.33) GAASMN1; SMN2
SCHEMBL7186778 0.77 GAK (0.36) PTPN1PTPN6PTPN11KDM4EALDH1A1
SCHEMBL7187728 0.74 GRM2 (0.33) —
SCHEMBL7187733 0.73 PPARG (0.40) ALOX5
SCHEMBL7658382 0.71 CFD (0.56) CFDPTGS1CYP4F2CYP4A11TSHR
SCHEMBL11157072 0.70 BACE1 (0.54) CFDALOX5BACE1CYP4F2CYP4A11

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 CFD 4673/4885PTGS1 936/4885ALOX5 1804/4885

“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.

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