SCHEMBL7200258

SCHEMBL7200258

O=P(O)(Oc1ccc(CCCCSc2ccc(Br)cc2)cc1Br)C(F)F.[Na].[Na]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
PLA2G4B P0C869 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
S1PR2 O95136 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 1/20 0.31
LPAR2 Q9HBW0 1/20 0.31
HRH3 Q9Y5N1 3/20 0.31
PLA2G2A P14555 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
MCL1 Q07820 1/20 0.31
BCL2A1 Q16548 1/20 0.31
CA2 P00918 2/20 0.30
PLA2G4A P47712 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 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
SCHEMBL7192779 0.91 HDAC3 (0.37) MAPTPLA2G4BHRH3L3MBTL1ALDH1A1
SCHEMBL7191439 0.89 HRH3 (0.36) MAPTPLA2G4BS1PR2S1PR1S1PR3
SCHEMBL7186736 0.88 HDAC3 (0.36) MAPTSMN1; SMN2NPC1RAB9AHRH3
SCHEMBL7194455 0.87 HRH3 (0.34) S1PR2S1PR1S1PR3LPAR2HRH3
SCHEMBL7598907 0.86 MAOB (0.41) MAPTSMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL7193744 0.86 RAB9A (0.40) MAPTSMN1; SMN2NPC1RAB9AS1PR2
SCHEMBL7180256 0.85 HRH3 (0.37) MAPTS1PR2S1PR1S1PR3LPAR2
SCHEMBL7188661 0.85 HRH3 (0.40) MAPTSMN1; SMN2NPC1RAB9AS1PR1
SCHEMBL7194611 0.83 HRH3 (0.34) S1PR2S1PR1S1PR3LPAR2HRH3
SCHEMBL7180230 0.82 RAB9A (0.41) MAPTSMN1; SMN2NPC1RAB9AS1PR1

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 MAPT 4057/4885SMN1; SMN2 3541/4885PLA2G4B 323/4885

“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.