SCHEMBL7188039

SCHEMBL7188039

O=P(O)(O)C(F)(F)c1ccc(CSCc2c(F)cccc2Cl)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.54
PTPN2 P17706 1/20 0.44
KDM4E B2RXH2 1/20 0.44
TP53 P04637 2/20 0.41
LMNA P02545 2/20 0.41
HPGD P15428 4/20 0.40
ALDH1A1 P00352 4/20 0.40
BACE1 P56817 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PTPRC P08575 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL7596776 0.93 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL7188307 0.92 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL7182987 0.84 PTPN1 (0.58) PTPN1PTPN2TP53LMNAPTPRC
SCHEMBL7659253 0.84 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7194550 0.83 PTPN1 (0.59) PTPN1PTPN2TP53LMNAPTPRC
SCHEMBL7188007 0.83 PTPN1 (0.59) PTPN1PTPN2KDM4ELMNAALDH1A1
SCHEMBL7183215 0.83 PTPN1 (0.61) PTPN1PTPN2PTPRC
SCHEMBL7193325 0.83 PTPN1 (0.64) PTPN1PTPN2LMNAPTPRC
SCHEMBL7187658 0.83 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7186859 0.83 PTPN1 (0.56) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
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 24/4885KDM4E 2275/4885

“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.