SCHEMBL7204587

SCHEMBL7204587

O=P(O)(Oc1ccc(CSC(c2ccccc2)c2ccccc2)cc1Br)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
EPHX1 P07099 5/20 0.35
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
TBXA2R P21731 1/20 0.31
PTGIR P43119 1/20 0.31
MAPT P10636 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PPARA Q07869 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7598595 0.91 EPHX1 (0.33) EPHX1
SCHEMBL7592249 0.89 ALDH1A1 (0.35) PTPN1PTPN2EPHX1ALDH1A1GAA
SCHEMBL7597986 0.87 PTPN1 (0.35) PTPN1PTPN2EPHX1PPARA
SCHEMBL7599756 0.84 PTPN1 (0.39) PTPN1PTPN2ALDH1A1MAPTPPARA
SCHEMBL7594345 0.82 PTPN1 (0.44) PTPN1PTPN2PPARA
SCHEMBL7187616 0.80 LMNA (0.33) ALDH1A1MAPTL3MBTL1
SCHEMBL7599157 0.80 PTPN1 (0.36) PTPN1ALDH1A1MAPT
SCHEMBL5401110 0.80 PTPN2 (0.35) PTPN1PTPN2ALDH1A1GAAPKM
SCHEMBL7593824 0.80 FTO (0.37) PTPN1EPHX1
SCHEMBL7594149 0.79 PPARD (0.34) EPHX1ALDH1A1PKMMAPT

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
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 PTPN1 13/4885PTPN2 24/4885EPHX1 685/4885

“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.