SCHEMBL7189795

SCHEMBL7189795

CC(C)CCOc1ccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)cc1C(=O)O.[NaH].[NaH].[NaH]

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 10/20 0.54
▸ PTPN2 P17706 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ PTPN11 Q06124 3/20 0.39
▸ PTPN6 P29350 1/20 0.39
▸ XDH P47989 1/20 0.37
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ THRA P10827 2/20 0.35
▸ THRB P10828 2/20 0.35
▸ PTPN5 P54829 1/20 0.35
▸ HTT P42858 1/20 0.34

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
SCHEMBL7597545 0.88 PTPN1 (0.55) PTPN1PTPN2KDM4EXDHRXRA
SCHEMBL7190920 0.79 PTPN1 (0.57) PTPN1PTPN2PTPN11PTPN6HTT
SCHEMBL7597536 0.78 PTPN1 (0.56) PTPN1PTPN2RXRARXRBRXRG
SCHEMBL7181977 0.78 PTPN1 (0.49) PTPN1PTPN2KDM4E
SCHEMBL7188046 0.77 PTPN1 (0.55) PTPN1PTPN2
SCHEMBL7198002 0.77 PTPN1 (0.72) PTPN1PTPN2PTPN5
SCHEMBL7189804 0.76 PTPN5 (0.43) PTPN1PTPN2PTPN11PTPN6PTPN5
SCHEMBL7189802 0.75 KDM4E (0.39) PTPN1KDM4EPTPN11PTPN6XDH
SCHEMBL7599748 0.75 PTPN1 (0.65) PTPN1PTPN2
SCHEMBL7599118 0.75 PTPN1 (0.48) PTPN1PTPN2

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 PTPN1 13/4885PTPN2 24/4885KDM4E 2275/4885

“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.

Send feedback