SCHEMBL7188739

SCHEMBL7188739

O=P(O)(O)C(F)(F)c1ccc(CSc2ccccn2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.54
PTPN1 P18031 11/20 0.50
POLB P06746 1/20 0.50
PTPN2 P17706 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HDAC1 Q13547 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
GAA P10253 1/20 0.43
PTPRC P08575 2/20 0.42
HSD17B3 P37058 1/20 0.38

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
SCHEMBL7188069 0.88 PTPN1 (0.52) MAPTPTPN1PTPN2NPC1RAB9A
SCHEMBL7188743 0.88 PTPN1 (0.45) MAPTPTPN1POLBPTPN2NPC1
SCHEMBL7183049 0.87 PTPN1 (0.44) MAPTPTPN1POLBPTPN2NPC1
SCHEMBL7596357 0.81 PTPN1 (0.48) PTPN1PTPN2RAB9APTPRC
SCHEMBL7659253 0.80 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7185478 0.80 PTPN1 (0.48) PTPN1POLBPTPN2HPGDSMN1; SMN2
SCHEMBL7188425 0.80 PTPN1 (0.46) PTPN1POLBPTPN2ALDH1A1HPGD
SCHEMBL7187658 0.79 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7194584 0.79 PTPN1 (0.45) MAPTPTPN1POLBPTPN2ALDH1A1
SCHEMBL7199439 0.79 PTPN1 (0.48) PTPN1POLBPTPN2HPGDSMN1; SMN2

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 4057/4885PTPN1 13/4885POLB 3180/4885

“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.