SCHEMBL7168580

SCHEMBL7168580

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

nearest known ligand 0.78

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.78
PTPN2 P17706 5/20 0.78
PTPRC P08575 2/20 0.42
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 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
SCHEMBL7161699 0.87 PTPN1 (1.00) PTPN1PTPN2PTPRC
SCHEMBL7620175 0.86 PTPN1 (0.59) PTPN1PTPN2PTPRCESR1ESR2
SCHEMBL27715841 0.83 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL3737920 0.81 PTPN1 (0.64) PTPN1PTPN2PTPRC
SCHEMBL7629988 0.80 PTPN1 (0.70) PTPN1PTPN2PTPRC
SCHEMBL7187413 0.77 PTPN1 (0.58) PTPN1PTPN2PTPRC
SCHEMBL7168584 0.76 PTPN1 (0.47) PTPN1PTPN2ESR1ESR2EPHX2
SCHEMBL7204583 0.76 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL3738161 0.76 PTPN1 (0.59) PTPN1PTPN2PTPRC
SCHEMBL6846457 0.76 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARG

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003518130-A 2003-06-03 JP claimed
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US claimed
EP-1244678-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP 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
WO-2001046206-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO claimed
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US disclosed
EP-1244678-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA INC. (CA) 2002-10-02 EP 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
WO-2001046206-A1 PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO 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.