SCHEMBL7182007

SCHEMBL7182007

NS(=O)(=O)c1cccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cn2)c1.[Na]

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.58
PTPN2 P17706 4/20 0.39
PTPRC P08575 1/20 0.35
ALOX5AP P20292 1/20 0.35
CA2 P00918 3/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
CA13 Q8N1Q1 2/20 0.34
CA12 O43570 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33

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
SCHEMBL7594113 1.00 PTPN1 (0.58) PTPN1PTPN2PTPRCALOX5APCA2
SCHEMBL7181989 0.99 PTPN1 (0.58) PTPN1PTPN2PTPRCALOX5APCA2
Butane SCHEMBL7595783 0.97 PTPN1 (0.55) PTPN1PTPN2PTPRCALOX5APCA2
SCHEMBL7595796 0.88 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL7188783 0.88 PTPN1 (0.74) PTPN1PTPN2CA2CA1CA9
SCHEMBL7592238 0.88 PTPN1 (0.74) PTPN1PTPN2CA2CA1CA9
SCHEMBL7188773 0.87 PTPN1 (0.73) PTPN1PTPN2CA2CA1CA9
SCHEMBL7663135 0.81 PTPN1 (0.73) PTPN1PTPN2PTPRCCA2CA1
SCHEMBL7193465 0.79 PTPN1 (0.67) PTPN1PTPN2
SCHEMBL7594116 0.79 PTPN1 (0.38) PTPN1ALOX5APCA2CA1CA9

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.