SCHEMBL7200463

SCHEMBL7200463

CCOP(=O)(OCC)C(F)(F)c1ccc(CSCc2ccc(-c3cccc(S(C)(=O)=O)c3)cc2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.52
NR1H2 P55055 13/20 0.39
NR1H3 Q13133 9/20 0.39
CA2 P00918 1/20 0.36
RXRA P19793 2/20 0.35
NPC1 O15118 1/20 0.34
TNF P01375 1/20 0.34
RAB9A P51151 1/20 0.34
NOD1 Q9Y239 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
SCHEMBL5413494 0.90 PTPN1 (0.40) PTPN1NR1H2NR1H3RXRA
SCHEMBL7596371 0.88 PTPN1 (0.53) PTPN1CA2RXRA
SCHEMBL7193465 0.87 PTPN1 (0.67) PTPN1NR1H2NR1H3
SCHEMBL7200461 0.83 NR1H2 (0.38) PTPN1NR1H2NR1H3RXRA
SCHEMBL7187448 0.80 PTPN1 (0.47) PTPN1CA2
SCHEMBL7187500 0.80 PTPN1 (0.45) PTPN1
SCHEMBL7193271 0.79 PTPN1 (0.47) PTPN1
SCHEMBL7592238 0.79 PTPN1 (0.74) PTPN1CA2
SCHEMBL7188783 0.79 PTPN1 (0.74) PTPN1CA2
SCHEMBL7188773 0.78 PTPN1 (0.73) PTPN1CA2

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 13/4885NR1H2 4073/4885NR1H3 4221/4885

“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.