SCHEMBL4898717

SCHEMBL4898717

COC(=O)c1cccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(C(F)(F)P(=O)(O)O)c(Br)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 7/20 0.40
PTPN2 P17706 4/20 0.40
MAPK8 P45983 2/20 0.38
NOTUM Q6P988 1/20 0.36
RBP4 P02753 1/20 0.35
PTPRC P08575 2/20 0.35
CHRM3 P20309 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
DPP4 P27487 1/20 0.33
CD74 P04233 1/20 0.33
MIF P14174 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
PDE4D Q08499 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
SCHEMBL4897256 0.91 PTPN1 (0.38) PTPN1PTPN2MAPK8NOTUMPTPRC
SCHEMBL4899815 0.91 PTPN1 (0.44) PTPN1PTPN2PTPRC
SCHEMBL4898720 0.83 MAPK8 (0.36) MAPK8CHRM3DPP4CD74MIF
SCHEMBL4891956 0.83 PTPN1 (0.42) PTPN1PTPN2PTPRC
SCHEMBL4895379 0.82 PTPN1 (0.41) PTPN1PTPN2PTPRCPDK2
SCHEMBL4900440 0.82 PTPN1 (0.35) PTPN1PTPN2PTPRCNR1H4
SCHEMBL4900427 0.82 PTPN1 (0.35) PTPN1PTPN2PTPRCNR1H4
SCHEMBL4895547 0.80 MAPK8 (0.43) PTPN1PTPN2MAPK8NOTUMPTPRC
SCHEMBL4901255 0.80 PTPN1 (0.41) PTPN1PTPN2PTPRC
SCHEMBL4894086 0.80 PTPN1 (0.37) 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 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 PTPN1 13/4885PTPN2 27/4885MAPK8 682/4885

“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.