SCHEMBL4894033

SCHEMBL4894033

CCOC(=O)C(C)(C)Oc1ccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)cc1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 6/20 0.37
PTPN1 P18031 12/20 0.35
PPARA Q07869 2/20 0.34
ABCB11 O95342 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
HTR2A P28223 1/20 0.34
PMP22 Q01453 1/20 0.34
FBP1 P09467 2/20 0.33
PPARG P37231 2/20 0.33
PTPRC P08575 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4894086 0.91 PTPN1 (0.37) PTPN2PTPN1PPARAPPARGPTPRC
SCHEMBL4894042 0.85 FBP1 (0.34) PPARAABCB11CYP1A2CYP3A4TSHR
SCHEMBL4902976 0.83 PTPN1 (0.48) PTPN2PTPN1PTPRC
SCHEMBL4895379 0.83 PTPN1 (0.41) PTPN2PTPN1PTPRC
SCHEMBL4897256 0.83 PTPN1 (0.38) PTPN2PTPN1PTPRC
SCHEMBL4891956 0.82 PTPN1 (0.42) PTPN2PTPN1PTPRC
SCHEMBL4901255 0.81 PTPN1 (0.41) PTPN2PTPN1PTPRC
SCHEMBL4900440 0.79 PTPN1 (0.35) PTPN2PTPN1PTPRC
SCHEMBL4900427 0.79 PTPN1 (0.35) PTPN2PTPN1PTPRC
SCHEMBL4900050 0.79 PTPN1 (0.37) PTPN2PTPN1PTPRC

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 5 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
US-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US disclosed
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 PTPN2 27/4885PTPN1 13/4885PPARA 2456/4885

“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.