SCHEMBL7186867

SCHEMBL7186867

O=P(O)(Oc1ccc(CSCc2cccc(F)c2F)cc1Br)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
PIN1 Q13526 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL7188022 0.92 SMN1; SMN2 (0.39) PTPN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7188319 0.88 PTPN1 (0.33) PTPN1KDM4EALDH1A1
SCHEMBL7599157 0.87 PTPN1 (0.36) PTPN1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7189868 0.85 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1
SCHEMBL7188752 0.84 PTPN1 (0.34) PTPN1
SCHEMBL7189759 0.84 ALDH1A1 (0.40) PTPN1KDM4EALDH1A1TDP1
SCHEMBL7183000 0.84 TP53 (0.38) PTPN1SMN1; SMN2ALDH1A1
SCHEMBL7187521 0.84 PKM (0.33) PTPN1SMN1; SMN2ALDH1A1
SCHEMBL7695855 0.84 PTPN1 (0.32) PTPN1
SCHEMBL7194686 0.84 PTPN1 (0.33) PTPN1ALDH1A1

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 13/4885SMN1; SMN2 3541/4885PIN1 873/4885

“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.