SCHEMBL6850503

SCHEMBL6850503

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

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 20/20 0.54
PTPN2 P17706 5/20 0.49
PTPRC P08575 2/20 0.44

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
SCHEMBL7165567 0.92 PTPN1 (0.66) PTPN1PTPN2PTPRC
SCHEMBL7165297 0.91 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL6850495 0.88 PTPN1 (0.68) PTPN1PTPN2PTPRC
SCHEMBL7165292 0.86 PTPN1 (0.69) PTPN1PTPN2PTPRC
SCHEMBL7169128 0.84 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL7165563 0.84 PTPN1 (0.77) PTPN1PTPN2PTPRC
SCHEMBL7166899 0.82 PTPN1 (0.60) PTPN1PTPN2PTPRC
SCHEMBL7164058 0.81 PTPN1 (0.39) PTPN1PTPN2PTPRC
SCHEMBL6850740 0.79 PTPN1 (0.54) PTPN1PTPN2PTPRC
SCHEMBL7659262 0.79 PTPN1 (0.55) PTPN1PTPN2PTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1242431-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-09-25 EP claimed
US-6448429-B1 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-09-10 US claimed
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2002-05-02 US claimed
WO-2001046204-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-06-28 WO claimed
US-6777433-B2 BIS((DIFLUORO-PHOSPHONATO-METHYL)PHENYL) DERIVATIVES; ANTIDIABETIC AND ANTIOBESITY AGENTS MERCK FROSST CANADA & CO. (CA) 2004-08-17 US disclosed
US-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2003-06-19 US disclosed
EP-1242431-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS Merck Frosst Canada & Co. (CA) 2002-09-25 EP disclosed
US-6448429-B1 TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. MERCK FROSST CANADA & CO. (CA) 2002-09-10 US disclosed
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates MERCK FROSST CANADA LTD. (CA) 2002-05-02 US disclosed
WO-2001046204-A1 AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS 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 (2 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-20030114703-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885PTPN2 22/4885PTPRC 8/4885
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885PTPN2 22/4885PTPRC 8/4885

“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.