SCHEMBL7165173

SCHEMBL7165173

O=C(c1ccccc1)C(Cc1c(Cc2ccccc2)cc(C(F)(F)P(=O)(O)O)c(Br)c1Cc1ccccc1)c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 13/20 0.62
PTPN2 P17706 1/20 0.62
PTPN5 P54829 2/20 0.35
ACP3 P15309 1/20 0.34
EPHX2 P34913 1/20 0.34
PPARG P37231 1/20 0.34
MDM2 Q00987 1/20 0.33

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
SCHEMBL7623932 0.81 PTPN1 (0.56) PTPN1PTPN2PTPN5EPHX2PPARG
SCHEMBL7625008 0.79 PTPN1 (0.54) PTPN1PTPN2EPHX2PPARG
SCHEMBL6846458 0.78 PTPN1 (0.59) PTPN1PTPN2PTPN5
SCHEMBL7621376 0.78 PTPN1 (0.52) PTPN1PTPN2EPHX2PPARG
SCHEMBL21067870 0.77 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7161699 0.77 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7624690 0.71 PTPN1 (0.56) PTPN1PTPN2EPHX2PPARG
SCHEMBL7166517 0.71 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7622221 0.70 PTPN1 (0.54) PTPN1PTPN2EPHX2PPARG
SCHEMBL7165383 0.70 PTPN1 (0.59) 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 32/4885PTPN5 24/4885

“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.