SCHEMBL7597545

SCHEMBL7597545

CC(C)CCOc1ccc(-c2ccc(CSCc3ccc(C(F)(F)P(=O)(O)O)c(Br)c3)cc2)cc1P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 13/20 0.55
▸ PTPN2 P17706 4/20 0.38
▸ KDM4E B2RXH2 1/20 0.35
▸ PTPN5 P54829 3/20 0.34
▸ PTPRC P08575 2/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ XDH P47989 1/20 0.33
▸ THRA P10827 1/20 0.32
▸ THRB P10828 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
SCHEMBL7190920 0.89 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL7189804 0.88 PTPN5 (0.43) PTPN1PTPN2PTPN5PTPRC
SCHEMBL7189795 0.88 PTPN1 (0.54) PTPN1PTPN2KDM4EPTPN5RXRA
SCHEMBL7597536 0.87 PTPN1 (0.56) PTPN1PTPN2PTPN5PTPRCRXRA
SCHEMBL7665155 0.87 PTPN5 (0.44) PTPN1PTPN2PTPN5
SCHEMBL7597546 0.83 PTPN1 (0.36) PTPN1KDM4EXDHTHRATHRB
SCHEMBL7189808 0.80 KDM4E (0.37) PTPN1KDM4ERXRARXRBRXRG
SCHEMBL7181977 0.80 PTPN1 (0.49) PTPN1PTPN2KDM4EPTPRC
SCHEMBL7665158 0.78 KDM4E (0.36) PTPN1KDM4E
SCHEMBL7188046 0.77 PTPN1 (0.55) PTPN1PTPN2PTPRC

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 13/4885PTPN2 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.

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