SCHEMBL7620175

SCHEMBL7620175

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

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 10/20 0.59
PTPN2 P17706 3/20 0.59
EPHX2 P34913 2/20 0.38
PPARG P37231 2/20 0.38
ESR1 P03372 1/20 0.37
ESR2 Q92731 1/20 0.37
CHRM1 P11229 1/20 0.34
EPHX1 P07099 1/20 0.33
PTPRC P08575 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
ACP3 P15309 1/20 0.31

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 0.90 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARGCHRM1
SCHEMBL7168580 0.86 PTPN1 (0.78) PTPN1PTPN2EPHX2PPARGESR1
SCHEMBL7626425 0.83 PTPN1 (0.54) PTPN1PTPN2EPHX2PPARG
SCHEMBL5398099 0.77 PTPN1 (0.38) PTPN1PTPN2PTPRC
SCHEMBL7165170 0.76 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARGEPHX1
SCHEMBL7620392 0.75 PTPN1 (0.41) PTPN1PTPN2PPARG
SCHEMBL7625002 0.75 PTPN1 (0.67) PTPN1PTPN2EPHX2PPARGCHRM1
SCHEMBL7618267 0.75 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL7625402 0.75 PTPN1 (0.50) PTPN1PTPN2MAPK1
SCHEMBL7161699 0.74 PTPN1 (1.00) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6486142-B2 A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES MERCK FROSST CANADA & CO. (CA) 2002-11-26 US 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

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.