SCHEMBL7188009

SCHEMBL7188009

CCCCOc1ccc(-c2ccc(CBr)cc2)cc1P(=O)(O)OCC

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.47
▸ S1PR1 P21453 11/20 0.44
▸ PTPN11 Q06124 5/20 0.44
▸ PTPN1 P18031 1/20 0.44
▸ PTPN6 P29350 1/20 0.44
▸ HIF1A Q16665 1/20 0.39
▸ S1PR2 O95136 7/20 0.38
▸ S1PR3 Q99500 7/20 0.38
▸ LPAR2 Q9HBW0 7/20 0.38
▸ CNR2 P34972 1/20 0.35

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
SCHEMBL7186784 0.89 ALDH1A1 (0.44) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7193757 0.86 ALDH1A1 (0.50) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7527451 0.86 ALDH1A1 (0.39) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7181991 0.83 CFD (0.42) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7187999 0.81 PTPN11 (0.44) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7593841 0.77 SRC (0.34) ALDH1A1
SCHEMBL7592836 0.77 PTPN1 (0.48) ALDH1A1S1PR1PTPN11PTPN1PTPN6
SCHEMBL7182889 0.75 ALDH1A1 (0.46) ALDH1A1S1PR1
SCHEMBL7184273 0.73 PLA2G2D (0.40) ALDH1A1PTPN1
SCHEMBL7527206 0.72 ALDH1A1 (0.41) ALDH1A1

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 ALDH1A1 312/4885S1PR1 2569/4885PTPN11 23/4885

“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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