SCHEMBL7592972

SCHEMBL7592972

CC(CCc1ccccc1)C(S)c1ccc(C(F)(F)P(=O)(O)O)c(Br)c1.[NaH].[NaH]

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.49
PTPN2 P17706 3/20 0.49
ACP3 P15309 1/20 0.37
HSP90AA1 P07900 1/20 0.37
KMT2A Q03164 1/20 0.37
PTPN5 P54829 1/20 0.37
PTPRC P08575 2/20 0.36

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
SCHEMBL7599315 0.88 PTPN1 (0.54) PTPN1PTPN2ACP3PTPN5PTPRC
SCHEMBL7599323 0.79 PTPN1 (0.49) PTPN1PTPN2PTPN5PTPRC
SCHEMBL27696034 0.78 PTPN1 (0.53) PTPN1PTPN2ACP3
SCHEMBL4865776 0.75 PTPN5 (0.53) PTPN1PTPN2PTPN5
SCHEMBL3738707 0.73 PTPN1 (0.50) PTPN1PTPN2PTPRC
SCHEMBL3742005 0.73 ALDH1A1 (0.55) PTPN1PTPN2KMT2A
SCHEMBL7598901 0.72 PTPN1 (0.47) PTPN1PTPN2PTPRC
SCHEMBL7188469 0.71 PTPN1 (0.46) PTPN1PTPN2PTPRC
SCHEMBL7187774 0.71 PTPN1 (0.44) PTPN1PTPN2PTPN5PTPRC
SCHEMBL7188294 0.70 PTPN1 (0.51) PTPN1PTPN2PTPN5

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 13/4885PTPN2 24/4885ACP3 292/4885

“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.