SCHEMBL7183229

SCHEMBL7183229

O=P(O)(Oc1ccc(CSCc2ccc(Cl)c(Cl)c2)cc1Br)C(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.36
PTPRG P23470 2/20 0.36
PTPRC P08575 1/20 0.36
IDO1 P14902 2/20 0.35
CYP2D6 P10635 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
PTPN1 P18031 2/20 0.34
LMNA P02545 2/20 0.33
GFER P55789 1/20 0.33
UTS2R Q9UKP6 5/20 0.33
CXCR2 P25025 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL7592992 0.88 LMNA (0.38) CYP2D6CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL7183224 0.88 CYP2D6 (0.36) FDPSPTPRGPTPRCIDO1CYP2D6
SCHEMBL7184220 0.88 PPARA (0.33) CYP1A2CYP3A4CYP2C9CYP2C19PTPN1
SCHEMBL7596788 0.88 LMNA (0.35) PTPN1LMNAMEN1HTTKMT2A
SCHEMBL7183000 0.87 TP53 (0.38) CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7194557 0.86 TP53 (0.42) IDO1CYP2D6CYP3A4LMNAMAPT
SCHEMBL7598583 0.86 CYP1A2 (0.44) IDO1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7193735 0.86 PTPN1 (0.35) PTPN1
SCHEMBL7183011 0.86 PTPN1 (0.38) CYP1A2CYP3A4CYP2C9CYP2C19PTPN1
SCHEMBL7193736 0.86 PTPN1 (0.38) CYP1A2CYP2C9CYP2C19PTPN1MAPT

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 FDPS 451/4885PTPRG 19/4885PTPRC 10/4885

“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.