SCHEMBL7189488

SCHEMBL7189488

NS(=O)(=O)c1cc(CSc2cccc(S)c2)c(Cl)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 19/20 0.40
CA2 P00918 19/20 0.40
CA7 P43166 15/20 0.40
CA13 Q8N1Q1 14/20 0.40
CA12 O43570 17/20 0.39
CA9 Q16790 17/20 0.39
CA6 P23280 14/20 0.39
CA3 P07451 12/20 0.39
CA4 P22748 12/20 0.39
CA14 Q9ULX7 12/20 0.39
CA5B Q9Y2D0 12/20 0.39
CA5A P35218 9/20 0.36
CISD1 Q9NZ45 1/20 0.35
ALDH1A1 P00352 1/20 0.34

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 0.71 PTPN1 (0.34) CA1CA2CA7CA13CA12
SCHEMBL7665316 0.71 PTPN1 (0.54) CA1CA2CA7CA13CA12
SCHEMBL7189715 0.71 PTPN1 (0.34) CA1CA2CA7CA13CA12
SCHEMBL7189712 0.70 PTPN1 (0.53) CA1CA2CA7CA13CA12
SCHEMBL7189721 0.70 PTPN1 (0.53) CA1CA2CA7CA13CA12
SCHEMBL7181960 0.66 CA1 (0.53) CA1CA2CA7CA13CA12
SCHEMBL1803687 0.65 CA1 (0.48) CA1CA2CA7CA13CA12
SCHEMBL26193000 0.63 APEX1 (0.33) ALDH1A1
SCHEMBL6038485 0.62 CA1 (0.64) CA1CA2CA7CA13CA12
SCHEMBL10783974 0.62 CA1 (0.49) 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 CA1 4360/4885CA2 2577/4885CA7 3510/4885

“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.