SCHEMBL7198599

SCHEMBL7198599

CCOP(=O)(OCC)C(F)(F)c1ccc(CSC(C)=O)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.43
PTPN2 P17706 5/20 0.38
NOTUM Q6P988 1/20 0.33
PTPRC P08575 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.32
CA2 P00918 1/20 0.31

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
SCHEMBL7187448 0.84 PTPN1 (0.47) PTPN1PTPN2LMNAGAACA2
SCHEMBL7185574 0.84 PTPN1 (0.55) PTPN1PTPN2PTPRC
SCHEMBL3741679 0.84 PTPN1 (0.41) PTPN1PTPN2NOTUMPTPRCLMNA
SCHEMBL7193271 0.83 PTPN1 (0.47) PTPN1PTPN2KDM4EALDH1A1LMNA
SCHEMBL7187823 0.83 PTPN1 (0.37) PTPN1PTPN2PTPRCALDH1A1
SCHEMBL13041688 0.82 THRB (0.45) PTPN1PTPN2
SCHEMBL7596371 0.81 PTPN1 (0.53) PTPN1PTPN2PTPRCKDM4EALDH1A1
SCHEMBL3737589 0.81 PTPN1 (0.56) PTPN1PTPN2NOTUMKDM4EALDH1A1
SCHEMBL3733049 0.81 PTPN1 (0.38) PTPN1PTPN2NOTUMPTPRCGAA
SCHEMBL3800605 0.81 PTPN1 (0.39) PTPN1PTPN2KDM4E

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 24/4885NOTUM 2312/4885

“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.