SCHEMBL7187728

SCHEMBL7187728

COP(=O)(OC)c1cc(-c2ccc(CBr)cc2)ccc1OC(C)C1CCCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GRM2 Q14416 5/20 0.33
▸ RXRA P19793 1/20 0.31
▸ RXRB P28702 1/20 0.31
▸ RXRG P48443 1/20 0.31
▸ SYK P43405 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ FFAR4 Q5NUL3 1/20 0.31
▸ IRAK4 Q9NWZ3 1/20 0.30
▸ PDE4A P27815 2/20 0.30
▸ PDE4B Q07343 2/20 0.30
▸ PDE4C Q08493 2/20 0.30
▸ PDE4D Q08499 2/20 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
SCHEMBL7597964 0.86 NPC1 (0.33) SYKIRAK4PDE4APDE4BPDE4C
SCHEMBL7593841 0.83 SRC (0.34) GRM2RXRARXRBRXRGSYK
SCHEMBL7189507 0.82 PDE4A (0.33) RXRARXRBRXRGPDE4APDE4B
SCHEMBL7527444 0.79 HPGD (0.39) CYP3A4HSD17B10
SCHEMBL7187733 0.79 PPARG (0.40) GRM2
SCHEMBL7186778 0.76 GAK (0.36) —
SCHEMBL7593786 0.76 PTPN1 (0.40) RXRARXRBRXRG
SCHEMBL7181981 0.74 CFD (0.44) —
SCHEMBL7187999 0.74 PTPN11 (0.44) CYP3A4PDE4APDE4BPDE4CPDE4D
SCHEMBL7597971 0.70 ALDH1A1 (0.34) IRAK4

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 GRM2 1762/4885RXRA 3853/4885RXRB 2677/4885

“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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