SCHEMBL7592832

SCHEMBL7592832

CCCCOc1ccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(OCC)OCC)c(Br)c3)cc2)cc1P(=O)(OC)OC

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.44
▸ S1PR1 P21453 5/20 0.35
▸ PTPN11 Q06124 2/20 0.32
▸ PTPN6 P29350 1/20 0.32
▸ S1PR2 O95136 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32
▸ LPAR2 Q9HBW0 1/20 0.32
▸ BACE1 P56817 1/20 0.32
▸ RXRA P19793 1/20 0.32
▸ RXRB P28702 1/20 0.32
▸ RXRG P48443 1/20 0.32
▸ S1PR4 O95977 1/20 0.31
▸ S1PR5 Q9H228 1/20 0.31
▸ PPARD Q03181 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ ALPG P10696 1/20 0.31
▸ ALOX5 P09917 1/20 0.31
▸ PSEN1 P49768 1/20 0.31
▸ HIF1A Q16665 1/20 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
SCHEMBL7592836 0.90 PTPN1 (0.48) PTPN1S1PR1PTPN11PTPN6S1PR2
SCHEMBL7663960 0.86 PTPN1 (0.43) PTPN1RXRARXRBRXRG
SCHEMBL7593786 0.83 PTPN1 (0.40) PTPN1RXRARXRBRXRG
SCHEMBL7596785 0.82 PTPN1 (0.43) PTPN1MAPT
SCHEMBL7596781 0.82 PTPN1 (0.43) PTPN1MAPT
SCHEMBL7190920 0.81 PTPN1 (0.57) PTPN1S1PR1PTPN11PTPN6S1PR2
SCHEMBL7596371 0.80 PTPN1 (0.53) PTPN1RXRARXRBRXRG
SCHEMBL7187448 0.77 PTPN1 (0.47) PTPN1
SCHEMBL7663967 0.76 PTPN1 (0.47) PTPN1RXRARXRBRXRG
SCHEMBL7193271 0.76 PTPN1 (0.47) PTPN1MAPT

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 13/4885S1PR1 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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