SCHEMBL7197816

SCHEMBL7197816

O=P(O)(O)C(F)(F)c1ccc(CSc2ccc(Cl)cc2)cc1Br

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 9/20 0.52
PTPN2 P17706 2/20 0.47
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
MAOA P21397 3/20 0.42
MAOB P27338 3/20 0.42
PTPRC P08575 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPSR1 Q6W5P4 1/20 0.40
RHEB Q15382 1/20 0.40
PTPN5 P54829 1/20 0.40
DAO P14920 1/20 0.39

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
SCHEMBL7186693 0.90 PTPN1 (0.52) PTPN1PTPN2PTPRCRHEB
SCHEMBL7193325 0.89 PTPN1 (0.64) PTPN1PTPN2LMNAPTPRCPTPN5
SCHEMBL7592986 0.88 PTPN1 (0.62) PTPN1PTPN2LMNAPTPRCPTPN5
SCHEMBL7190972 0.87 PTPN1 (0.49) PTPN1PTPN2MAPTPTPRCPTPN5
SCHEMBL7186729 0.86 PTPN1 (0.44) PTPN1PTPN2PTPRCPTPN5
SCHEMBL7182937 0.86 PTPN1 (0.58) PTPN1PTPN2PTPRCPTPN5
SCHEMBL7192771 0.85 PTPN1 (0.43) PTPN1PTPN2ALDH1A1PTPRCPTPN5
SCHEMBL7189870 0.82 PTPN1 (0.47) PTPN1PTPN2MEN1KMT2ARAB9A
SCHEMBL7595316 0.82 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7188299 0.82 PTPN1 (0.51) PTPN1PTPN2ALDH1A1MAPTPTPRC

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 24/4885MEN1 4448/4885

“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.