SCHEMBL7189798

SCHEMBL7189798

CC(C)(C)S(N)(=O)=O.CCc1ccc(SCc2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)cc1CC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 17/20 0.62
PTPN2 P17706 5/20 0.38
PTPRC P08575 2/20 0.34
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 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
SCHEMBL7595316 0.83 PTPN1 (0.66) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL7189794 0.82 PTPN1 (0.40) PTPN1CA2
SCHEMBL7595310 0.82 PTPN1 (0.64) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL7663135 0.78 PTPN1 (0.73) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL7659253 0.78 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7189478 0.75 PTPN1 (0.65) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL7595793 0.75 PTPN1 (0.60) PTPN1PTPN2PTPRC
Butane SCHEMBL7183122 0.75 PTPN1 (0.51) PTPN1PTPN2PTPRCCA12CA1
SCHEMBL7189466 0.75 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL7595552 0.74 PTPN1 (0.64) PTPN1PTPN2PTPRC

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.