SCHEMBL7626425

SCHEMBL7626425

CC(C)(C)OP(=O)(OC(C)(C)C)C(F)(F)c1ccc(CC(C(=O)c2nccs2)c2ccccc2)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 8/20 0.54
PTPN2 P17706 2/20 0.54
NR3C1 P04150 2/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
GRM5 P41594 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP7 P09237 1/20 0.32
PLA2G4A P47712 2/20 0.32
CTSA P10619 2/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL7629988 0.88 PTPN1 (0.70) PTPN1PTPN2
SCHEMBL6846457 0.85 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARG
SCHEMBL7620175 0.83 PTPN1 (0.59) PTPN1PTPN2EPHX2PPARG
SCHEMBL7629991 0.77 PTPN1 (0.43) PTPN1PTPN2EPHX2PPARGCYP1A2
SCHEMBL7618267 0.74 PTPN1 (0.51) PTPN1PTPN2
SCHEMBL7183658 0.73 PLA2G4A (0.38) PTPN1PTPN2CYP1A2CYP3A4CYP2D6
SCHEMBL7165170 0.72 PTPN1 (0.74) PTPN1PTPN2EPHX2PPARG
SCHEMBL7626428 0.72 PTPN1 (0.44) PTPN1PTPN2NR3C1PGRAR
SCHEMBL7625002 0.71 PTPN1 (0.67) PTPN1PTPN2EPHX2PPARG
SCHEMBL7625402 0.71 PTPN1 (0.50) PTPN1PTPN2

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 32/4885NR3C1 1345/4885

“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.