SCHEMBL7593786

SCHEMBL7593786

CCOP(=O)(OCC)C(F)(F)c1ccc(CSCc2ccc(-c3ccc(OC(C)C4CCCC4)c(P(=O)(OC)OC)c3)cc2)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 4/20 0.40
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 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
SCHEMBL7593796 0.91 PTPN1 (0.44) PTPN1RXRARXRBRXRG
SCHEMBL7663960 0.88 PTPN1 (0.43) PTPN1RXRARXRBRXRG
SCHEMBL7592832 0.83 PTPN1 (0.44) PTPN1RXRARXRBRXRG
SCHEMBL7663967 0.79 PTPN1 (0.47) PTPN1RXRARXRBRXRG
SCHEMBL7596785 0.78 PTPN1 (0.43) PTPN1
SCHEMBL7596781 0.78 PTPN1 (0.43) PTPN1
SCHEMBL7187728 0.76 GRM2 (0.33) RXRARXRBRXRG
SCHEMBL7596371 0.76 PTPN1 (0.53) PTPN1RXRARXRBRXRG
SCHEMBL7592836 0.73 PTPN1 (0.48) PTPN1RXRARXRBRXRG
SCHEMBL7187448 0.73 PTPN1 (0.47) PTPN1

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 2 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 disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 — — US 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 PTPN1 13/4885RXRA 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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