SCHEMBL4894042

SCHEMBL4894042

CCOC(=O)C(C)(C)Oc1ccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 4/20 0.34
PPARA Q07869 4/20 0.34
TSHR P16473 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
KDM4E B2RXH2 2/20 0.33
PPARG P37231 3/20 0.31
ALDH1A1 P00352 1/20 0.31
CNR1 P21554 1/20 0.30

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
SCHEMBL4894087 0.91 PPARA (0.36) PPARAPPARG
SCHEMBL4894033 0.85 PTPN2 (0.37) FBP1PPARATSHRABCB11CYP1A2
SCHEMBL4891960 0.83 GCGR (0.34) ALDH1A1
SCHEMBL4897265 0.83 MAPK10 (0.37) KDM4EALDH1A1
SCHEMBL4900432 0.79 NR1H4 (0.31) CNR1
SCHEMBL4898720 0.78 MAPK8 (0.36) ALDH1A1
SCHEMBL4894086 0.76 PTPN1 (0.37) PPARAPPARG
SCHEMBL4893914 0.74 MAPK10 (0.36) CYP1A2CYP3A4KDM4EALDH1A1
SCHEMBL4891976 0.74 PTGS2 (0.35)
SCHEMBL4901582 0.73 F2RL3 (0.43) TSHRKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US claimed
WO-2006078698-A1 2-IMIDAZOLONE AND 2-IMIDAZOLIDINONE HETEROCYCLIC INHIBITORS OF TYROSINE PHOSPHATASES CENGENT THERAPEUTICS, INC. (US) 2006-07-27 WO claimed
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases PPM1B, PPM1D, PTPRS FBP1 119/4885PPARA 2456/4885TSHR 1439/4885

“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.