SCHEMBL7620180

SCHEMBL7620180

CC(=O)C(Cc1c(C(C)(C)C)cc(C(F)(F)P(=O)(O)O)c(Br)c1C(C)(C)C)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 12/20 0.46
PTPN2 P17706 4/20 0.46
PGK1 P00558 1/20 0.34
PGK2 P07205 1/20 0.34
PTPN5 P54829 3/20 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
SCHEMBL6846458 0.90 PTPN1 (0.59) PTPN1PTPN2PGK1PGK2PTPN5
SCHEMBL7626428 0.83 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL5398102 0.77 PGK1 (0.44) PTPN1PTPN2PGK1PGK2PTPN5
SCHEMBL7620396 0.77 S1PR1 (0.35) PTPN1PTPN2PTPN5
SCHEMBL7625404 0.76 PTPN1 (0.45) PTPN1PTPN2
SCHEMBL7618272 0.75 PTPN1 (0.41) PTPN1PTPN2
SCHEMBL7168580 0.75 PTPN1 (0.78) PTPN1PTPN2
SCHEMBL7625008 0.68 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL7165173 0.67 PTPN1 (0.62) PTPN1PTPN2PTPN5
SCHEMBL7623932 0.67 PTPN1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 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-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) PPM1B, PTPRO, PTPA PTPN1 13/4885PTPN2 32/4885PGK1 188/4885

“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.