SCHEMBL7629988

SCHEMBL7629988

O=C(c1nccs1)C(Cc1ccc(C(F)(F)P(=O)(O)O)c(Br)c1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.70
PTPN2 P17706 6/20 0.70
PTPRC P08575 2/20 0.39

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
SCHEMBL7626425 0.88 PTPN1 (0.54) PTPN1PTPN2
SCHEMBL21067870 0.83 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL7161699 0.83 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL7629991 0.80 PTPN1 (0.43) PTPN1PTPN2
SCHEMBL7168580 0.80 PTPN1 (0.78) PTPN1PTPN2PTPRC
SCHEMBL7626428 0.79 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7183658 0.75 PLA2G4A (0.38) PTPN1PTPN2
SCHEMBL3737920 0.70 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL7165170 0.70 PTPN1 (0.74) PTPN1PTPN2
SCHEMBL6846457 0.70 PTPN1 (0.74) 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 4 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 claimed
US-20020058644-A1 Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) MERCK FROSST CANADA LTD. (CA) 2002-05-16 US claimed
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 32/4885PTPRC 6/4885

“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.