SCHEMBL4902980

SCHEMBL4902980

O=C(O)COc1ccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRA P10827 4/20 0.32
THRB P10828 4/20 0.32
ADORA2B P29275 6/20 0.32
HRH2 P25021 1/20 0.32
ADORA2A P29274 5/20 0.31
ADORA3 P0DMS8 1/20 0.31
DRD2 P14416 1/20 0.30
DRD4 P21917 1/20 0.30
DRD3 P35462 1/20 0.30
FAAH O00519 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 1/20 0.30
PTPN2 P17706 1/20 0.30
PTPN1 P18031 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
SCHEMBL4895384 0.92 P2RX3 (0.31)
SCHEMBL4891960 0.89 GCGR (0.34) HRH2DRD2DRD4DRD3
SCHEMBL4894087 0.88 PPARA (0.36)
SCHEMBL4900045 0.85 ADORA2B (0.31) ADORA2BADORA2AADORA3DRD2DRD4
SCHEMBL4897265 0.85 MAPK10 (0.37)
SCHEMBL4899822 0.83 HRH2 (0.33) HRH2DRD2DRD4DRD3
SCHEMBL4902976 0.82 PTPN1 (0.48) PTPN2PTPN1
SCHEMBL4900432 0.82 NR1H4 (0.31) ADORA2BADORA3
SCHEMBL4898720 0.80 MAPK8 (0.36)
SCHEMBL4901698 0.75 ALDH1A1 (0.38) THRB

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-20080070867-A1 2-Imidazolone and 2-Imidazolidinone Heterocyclic Inhibitors of Tyrosine Phosphatases METABASIS THERAPEUTICS, INC. (US) 2008-03-20 US 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 THRA 1807/4885THRB 653/4885ADORA2B 3519/4885

“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.