SCHEMBL6846457

SCHEMBL6846457

CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(CC(C(=O)c2ccccc2)c2ccccc2)cc1Br

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 16/20 0.74
PTPN2 P17706 2/20 0.74
EPHX2 P34913 2/20 0.39
PPARG P37231 2/20 0.39
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CHRM1 P11229 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
SCHEMBL7620175 0.90 PTPN1 (0.59) PTPN1PTPN2EPHX2PPARGCHRM1
SCHEMBL7165170 0.86 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARGLMNA
SCHEMBL7161699 0.85 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL21067870 0.85 PTPN1 (1.00) PTPN1PTPN2
SCHEMBL7625002 0.85 PTPN1 (0.67) PTPN1PTPN2EPHX2PPARGCHRM1
SCHEMBL7626425 0.85 PTPN1 (0.54) PTPN1PTPN2EPHX2PPARG
SCHEMBL7623925 0.84 PTPN1 (0.68) PTPN1PTPN2EPHX2PPARGCHRM1
SCHEMBL7622074 0.83 PTPN1 (0.71) PTPN1PTPN2EPHX2PPARGLMNA
SCHEMBL7618267 0.83 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL7621370 0.82 PTPN1 (0.65) PTPN1PTPN2EPHX2PPARGCHRM1

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-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
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

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 22/4885EPHX2 2249/4885
US-20020052347-A1 Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates PTPRO, PTPN1, PTPRS PTPN1 2/4885PTPN2 22/4885EPHX2 2249/4885

“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.