SCHEMBL7597986

SCHEMBL7597986

O=P(O)(Oc1ccc(CSC(Cc2ccccc2)c2ccccc2)cc1Br)C(F)F

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.35
PTPN2 P17706 1/20 0.35
ACP3 P15309 4/20 0.35
LAP3 P28838 5/20 0.35
PPARA Q07869 1/20 0.35
ANPEP P15144 2/20 0.34
PPARD Q03181 2/20 0.34
EPHX1 P07099 4/20 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
SCHEMBL7594149 0.91 PPARD (0.34) PPARDEPHX1
SCHEMBL7204587 0.87 PTPN1 (0.35) PTPN1PTPN2PPARAEPHX1
SCHEMBL7592249 0.85 ALDH1A1 (0.35) PTPN1PTPN2EPHX1
SCHEMBL7599756 0.82 PTPN1 (0.39) PTPN1PTPN2LAP3PPARAANPEP
SCHEMBL5393726 0.80 ACP3 (0.36) PTPN1PTPN2ACP3LAP3PPARA
SCHEMBL7592123 0.79 EPHX1 (0.36) EPHX1
SCHEMBL5408355 0.78 PTPN2 (0.35) PTPN1PTPN2ACP3LAP3PPARA
SCHEMBL7594345 0.78 PTPN1 (0.44) PTPN1PTPN2ACP3PPARA
SCHEMBL7598595 0.78 EPHX1 (0.33) EPHX1
SCHEMBL5414183 0.78 TSHR (0.38) PTPN1PTPN2LAP3PPARAANPEP

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 3 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
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

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 24/4885ACP3 292/4885

“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.