SCHEMBL7185385

SCHEMBL7185385

O=P(O)(Oc1ccc(CSCCCc2ccc(Br)cc2)cc1Br)C(F)F.[Na].[Na]

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 2/20 0.31
TP53 P04637 2/20 0.31
ALPG P10696 2/20 0.31
HTT P42858 2/20 0.31
PTPN1 P18031 1/20 0.31
MAPT P10636 1/20 0.30
ALDH1A1 P00352 1/20 0.30
ALPL P05186 1/20 0.30
ALPI P09923 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7187791 0.93 SMN1; SMN2 (0.39) LMNATP53ALPGHTTPTPN1
SCHEMBL7183011 0.89 PTPN1 (0.38) MEN1KMT2ALMNATP53PTPN1
SCHEMBL7194625 0.88 LMNA (0.37) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL7188724 0.86 PTPN1 (0.42) MEN1KMT2ALMNATP53PTPN1
SCHEMBL7592362 0.85 PGK1 (0.32) ALDH1A1
SCHEMBL7659071 0.85 S1PR2 (0.34) S1PR2S1PR1S1PR3LPAR2PTPN1
SCHEMBL7594619 0.84 PTPN1 (0.35) S1PR2S1PR1S1PR3LPAR2PTPN1
SCHEMBL7193743 0.84 S1PR2 (0.44) S1PR2S1PR1S1PR3LPAR2
SCHEMBL7188055 0.84 ALDH1A1 (0.33) S1PR2S1PR1S1PR3LPAR2MEN1
SCHEMBL7199115 0.83

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 S1PR2 3280/4885S1PR1 2569/4885S1PR3 3521/4885

“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.