SCHEMBL7165170

SCHEMBL7165170

O=C(c1ccccc1)C(Cc1ccc(C(F)(F)P(=O)(OCc2ccccc2)OCc2ccccc2)c(Br)c1)c1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 14/20 0.74
PTPN2 P17706 1/20 0.74
EPHX2 P34913 2/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NR1H2 P55055 1/20 0.35
NR1H3 Q13133 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL6846457 0.86 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARGLMNA
SCHEMBL7623925 0.86 PTPN1 (0.68) PTPN1PTPN2EPHX2PPARG
SCHEMBL21067870 0.85 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7161699 0.85 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7625002 0.85 PTPN1 (0.67) PTPN1PTPN2EPHX2PPARG
SCHEMBL7621370 0.84 PTPN1 (0.65) PTPN1PTPN2EPHX2PPARG
SCHEMBL7626492 0.80 PTPN1 (0.71) PTPN1PTPN2EPHX2PPARG
SCHEMBL7620482 0.79 PTPN1 (0.69) PTPN1PTPN2EPHX2PPARG
SCHEMBL7584320 0.79 PTPN1 (0.70) PTPN1PTPN2EPHX2PPARGLMNA
SCHEMBL7622217 0.78 PTPN1 (0.67) 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 32/4885EPHX2 2127/4885

“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.