SCHEMBL7189550

SCHEMBL7189550

O=P(O)(Oc1ccc(CS(=O)(=O)Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1Br)C(F)F

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.47
PTPN2 P17706 9/20 0.44
PTPRC P08575 2/20 0.38

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
SCHEMBL7598752 0.89 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL7659262 0.86 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL7189537 0.85 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL7193701 0.80 PTPN1 (0.35) PTPN1PTPN2PTPRC
SCHEMBL7598742 0.79 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL6850503 0.78 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL7598745 0.77 PTPN1 (0.49) PTPN1PTPN2PTPRC
SCHEMBL7595420 0.77 PTPN1 (0.45) PTPN1PTPN2PTPRC
SCHEMBL7194079 0.76 ALDH1A1 (0.33) PTPN1
SCHEMBL5390873 0.76 NPC1 (0.35)

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 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.