SCHEMBL7189804

SCHEMBL7189804

CC(C)CCOc1ccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)cc3)cc2)cc1P(=O)(O)O

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTPN5 P54829 13/20 0.43
▸ PTPN1 P18031 7/20 0.41
▸ PTPN2 P17706 4/20 0.41
▸ PTPN6 P29350 4/20 0.41
▸ PTPRB P23467 3/20 0.41
▸ PTPN11 Q06124 3/20 0.41
▸ PTPRC P08575 2/20 0.41
▸ CDC25A P30304 1/20 0.39

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
SCHEMBL7665155 0.93 PTPN5 (0.44) PTPN5PTPN1PTPN2PTPN6PTPRB
SCHEMBL7597545 0.88 PTPN1 (0.55) PTPN5PTPN1PTPN2PTPRC
SCHEMBL7189808 0.83 KDM4E (0.37) PTPN1PTPN6PTPN11
SCHEMBL7665158 0.80 KDM4E (0.36) PTPN1
SCHEMBL7597546 0.78 PTPN1 (0.36) PTPN1
SCHEMBL7192726 0.77 PTPN1 (0.48) PTPN5PTPN1PTPN2PTPN6PTPRB
SCHEMBL7558341 0.77 PTPN1 (0.67) PTPN1PTPN2PTPRC
SCHEMBL7190920 0.77 PTPN1 (0.57) PTPN1PTPN2PTPN6PTPN11
SCHEMBL7189795 0.76 PTPN1 (0.54) PTPN5PTPN1PTPN2PTPN6PTPN11
SCHEMBL7597536 0.74 PTPN1 (0.56) PTPN5PTPN1PTPN2PTPRC

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 5 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 claimed
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 PTPN5 16/4885PTPN1 13/4885PTPN2 24/4885

“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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