SCHEMBL7189808

SCHEMBL7189808

CC(C)CCOc1ccc(-c2ccc(CSCc3ccc(CP(=O)(OF)OF)cc3)cc2)cc1P(=O)(O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ESR1 P03372 1/20 0.32
▸ XDH P47989 2/20 0.32
▸ S1PR1 P21453 2/20 0.32
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MRGPRX1 Q96LB2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ PTPN1 P18031 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ POLB P06746 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ PTK2B Q14289 1/20 0.30
▸ RXRA P19793 1/20 0.30
▸ RXRB P28702 1/20 0.30
▸ RXRG P48443 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
SCHEMBL7665158 0.94 KDM4E (0.36) KDM4EESR1MEN1KMT2APTPN1
SCHEMBL7597546 0.89 PTPN1 (0.36) KDM4EXDHS1PR1PTPN1
SCHEMBL7189804 0.83 PTPN5 (0.43) PTPN1PTPN6PTPN11
SCHEMBL7665155 0.81 PTPN5 (0.44) PTPN1PTPN6PTPN11
SCHEMBL7597545 0.80 PTPN1 (0.55) KDM4EXDHPTPN1RXRARXRB
SCHEMBL7189802 0.75 KDM4E (0.39) KDM4EXDHMEN1KMT2AHDAC1
SCHEMBL7591806 0.75 GGPS1 (0.38) KDM4ES1PR1PTPN1SMN1; SMN2POLB
SCHEMBL7558349 0.75 PTPN1 (0.53) PTPN1
SCHEMBL7192731 0.70 PTPN1 (0.34) PTPN1POLB
SCHEMBL7186784 0.70 ALDH1A1 (0.44) KDM4EESR1XDHS1PR1HDAC1

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 KDM4E 2275/4885ESR1 2346/4885XDH 516/4885

“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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