SCHEMBL7189715

SCHEMBL7189715

NS(=O)(=O)c1cc(CSc2cccc(SCc3ccc(CP(=O)(OF)OF)c(Br)c3)c2)c(Cl)cc1Cl.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.34
CA1 P00915 10/20 0.33
CA2 P00918 10/20 0.33
CA7 P43166 10/20 0.33
CA13 Q8N1Q1 10/20 0.33
CA12 O43570 9/20 0.33
CA6 P23280 9/20 0.33
CA4 P22748 8/20 0.33
CA9 Q16790 8/20 0.33
CA14 Q9ULX7 8/20 0.33
CA5B Q9Y2D0 8/20 0.33
CA3 P07451 6/20 0.33
CA5A P35218 7/20 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
SCHEMBL7665321 0.99 PTPN1 (0.34) PTPN1CA1CA2CA7CA13
SCHEMBL7183125 0.87 TSHR (0.32)
SCHEMBL7189712 0.80 PTPN1 (0.53) PTPN1CA1CA2CA7CA13
SCHEMBL7665316 0.79 PTPN1 (0.54) PTPN1CA1CA2CA7CA13
SCHEMBL7189721 0.78 PTPN1 (0.53) PTPN1CA1CA2CA7CA13
Butane SCHEMBL7183122 0.76 PTPN1 (0.51) PTPN1CA1CA2CA7CA13
SCHEMBL7595311 0.74 PTPN1 (0.39) PTPN1CA1CA2CA7CA13
SCHEMBL7594079 0.74 APEX1 (0.42)
SCHEMBL7189794 0.72 PTPN1 (0.40) PTPN1CA2
SCHEMBL7189488 0.71 CA1 (0.40) CA1CA2CA7CA13CA12

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 13/4885CA1 4360/4885CA2 2577/4885

“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.