SCHEMBL7596773

SCHEMBL7596773

CC(S)(c1ccc(-c2ccc(Br)cc2)cc1)c1ccc(C(F)(F)P(=O)(O)O)c(Br)c1.[NaH].[NaH]

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.45
PTPN5 P54829 9/20 0.42
PTPN2 P17706 3/20 0.40
EPM2A O95278 1/20 0.40
PTPN22 Q9Y2R2 1/20 0.40
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38

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
SCHEMBL7596360 0.84 PTPN1 (0.47) PTPN1PTPN2PGK1PGK2
SCHEMBL7193463 0.81 PTPN1 (0.46) PTPN1PTPN5
SCHEMBL7194765 0.78 PTPN1 (0.46) PTPN1PTPN2PGK1PGK2
SCHEMBL7197496 0.77 PTPN1 (0.44) PTPN1PTPN2PGK1PGK2
SCHEMBL7595769 0.77 PTPN1 (0.45) PTPN1PTPN2PGK1PGK2
SCHEMBL3735747 0.76 PGK1 (0.52) PTPN1PTPN2PGK1PGK2
SCHEMBL7596450 0.76 PTPN1 (0.44) PTPN1PTPN2PGK1PGK2
SCHEMBL7596370 0.75 PTPN5 (0.38) PTPN1PTPN5PTPN2
SCHEMBL7598901 0.73 PTPN1 (0.47) PTPN1PTPN2EPM2APTPN22
SCHEMBL7187774 0.72 PTPN1 (0.44) PTPN1PTPN5PTPN2PGK1PGK2

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 3 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
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 13/4885PTPN5 16/4885PTPN2 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.