SCHEMBL7181991

SCHEMBL7181991

CCOP(=O)(O)c1cc(-c2ccc(CBr)cc2)ccc1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.36
▸ ALOX5 P09917 2/20 0.35
▸ AKT1 P31749 1/20 0.34
▸ PTPN11 Q06124 2/20 0.34
▸ PTPN1 P18031 1/20 0.34
▸ PTPN6 P29350 1/20 0.34
▸ CYP4F2 P78329 2/20 0.34
▸ CYP4A11 Q02928 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ TRPV1 Q8NER1 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ BACE1 P56817 1/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ LTA4H P09960 1/20 0.32
▸ TOP1 P11387 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
SCHEMBL7188821 0.86 CFD (0.41) CFDALDH1A1BACE1
SCHEMBL7527451 0.86 ALDH1A1 (0.39) ALDH1A1ALOX5PTPN11PTPN1PTPN6
SCHEMBL7188009 0.83 ALDH1A1 (0.47) ALDH1A1PTPN11PTPN1PTPN6S1PR1
SCHEMBL7181981 0.81 CFD (0.44) CFDALDH1A1ALOX5AKT1PTPN11
SCHEMBL7186784 0.80 ALDH1A1 (0.44) ALDH1A1PTPN11PTPN1PTPN6S1PR1
SCHEMBL7593841 0.77 SRC (0.34) ALDH1A1RXRARXRBRXRG
SCHEMBL7184273 0.73 PLA2G2D (0.40) ALDH1A1PTPN1POLB
SCHEMBL7527206 0.72 ALDH1A1 (0.41) ALDH1A1
SCHEMBL7193757 0.69 ALDH1A1 (0.50) ALDH1A1PTPN11PTPN1PTPN6S1PR1
SCHEMBL7658382 0.68 CFD (0.56) CFDALDH1A1AKT1CYP4F2CYP4A11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CFD 4673/4885ALDH1A1 312/4885ALOX5 1804/4885

“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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