SCHEMBL7594076

SCHEMBL7594076

O=C(O)c1cccc(SCc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 11/20 0.55
PTPN2 P17706 4/20 0.55
PTPRC P08575 2/20 0.45
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
APEX1 P27695 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7592257 0.88 PTPN1 (0.52) PTPN1PTPN2PTPRCAPEX1
SCHEMBL7181894 0.87 PTPN1 (0.51) PTPN1PTPN2PTPRCAPEX1
SCHEMBL7188299 0.86 PTPN1 (0.51) PTPN1PTPN2PTPRCMAPTHTT
SCHEMBL7666389 0.86 PTPN1 (0.48) PTPN1PTPN2MAPTHTTALDH1A1
SCHEMBL7190972 0.84 PTPN1 (0.49) PTPN1PTPN2PTPRCMAPTHTT
SCHEMBL7182937 0.81 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL7185478 0.79 PTPN1 (0.48) PTPN1PTPN2PTPRCHPGD
SCHEMBL7665252 0.79 PTPN1 (0.58) PTPN1PTPN2PTPRCMEN1KMT2A
SCHEMBL7187658 0.79 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7186693 0.78 PTPN1 (0.52) PTPN1PTPN2PTPRC

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 3 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
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

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 24/4885PTPRC 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.