SCHEMBL5396797

SCHEMBL5396797

CCOP(=O)(OCC)C(O)c1ccc(CBr)cc1Br

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.47
▸ GAA P10253 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ PTPN2 P17706 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ HMGCR P04035 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ THRB P10828 1/20 0.33
▸ APLNR P35414 2/20 0.33
▸ PTGS1 P23219 1/20 0.33
▸ PTGS2 P35354 1/20 0.33

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
SCHEMBL6850278 0.82 APLNR (0.32) CYP4F2CYP4A11THRBAPLNRPTGS1
SCHEMBL4003543 0.73 POLB (0.48) POLBGAAL3MBTL1PTPN2PTPN1
SCHEMBL2694270 0.72 POLB (0.43) POLBGAAL3MBTL1MEN1KMT2A
SCHEMBL3741538 0.71 MEN1 (0.47) POLBGAAL3MBTL1MEN1KMT2A
SCHEMBL5404414 0.70 CYP4F2 (0.43) POLBGAAKMT2ACYP4F2CYP4A11
SCHEMBL3732630 0.69 POLB (0.52) POLBGAAL3MBTL1PTPN2PTPN1
SCHEMBL14593259 0.68 PTGS1 (0.35) APLNRPTGS1PTGS2
SCHEMBL7828967 0.68 POLB (0.44) POLBGAAL3MBTL1MEN1KMT2A
SCHEMBL7166722 0.68 POLB (0.82) POLBGAAL3MBTL1MEN1KMT2A
SCHEMBL3376921 0.68 MAPT (0.39) POLBGAAL3MBTL1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7163932-B2 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA & CO. (CA) 2007-01-16 — — US disclosed
US-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes MERCK FROSST CANADA LTD. (CA) 2004-09-09 — — US disclosed
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 (2 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-20040176330-A1 Aryldifluoromethylphosphonic acids for treatment of diabetes PTPRF, PTPRO, PTP4A1 POLB 3518/4885GAA 135/4885L3MBTL1 4310/4885
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO POLB 3180/4885GAA 252/4885L3MBTL1 3939/4885

“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.

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