SCHEMBL7187791

SCHEMBL7187791

O=P(O)(Oc1ccc(CSCCCc2ccccc2)cc1Br)C(F)F.[Na].[Na]

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ALPG P10696 2/20 0.39
HTT P42858 2/20 0.39
ALPL P05186 1/20 0.39
ALPI P09923 1/20 0.39
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TP53 P04637 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PTPN1 P18031 2/20 0.33
HTR2A P28223 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL7185385 0.93 S1PR2 (0.31) SMN1; SMN2ALPGHTTALPLALPI
SCHEMBL7599756 0.89 PTPN1 (0.39) SMN1; SMN2ALPGHTTALPLALPI
SCHEMBL7592362 0.88 PGK1 (0.32) ALDH1A1
SCHEMBL7598719 0.87 S1PR2 (0.34) SMN1; SMN2ALPGHTTALPLALPI
SCHEMBL7194655 0.84 PKM (0.33) SMN1; SMN2ALPGHTTALPLALPI
SCHEMBL7659071 0.84 S1PR2 (0.34) PTPN1
SCHEMBL7594619 0.83 PTPN1 (0.35) PTPN1
SCHEMBL7193743 0.83 S1PR2 (0.44)
SCHEMBL7594345 0.83 PTPN1 (0.44) PTPN1
SCHEMBL7194625 0.83 LMNA (0.37) SMN1; SMN2ALPGHTTALPLALPI

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 SMN1; SMN2 3541/4885ALPG 1470/4885HTT 1549/4885

“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.