SCHEMBL4891960

SCHEMBL4891960

O=C(O)c1ccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCGR P47871 1/20 0.34
GIPR P48546 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPK10 P53779 1/20 0.34
MCHR1 Q99705 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
LTA4H P09960 2/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HRH2 P25021 1/20 0.30
RHEB Q15382 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
SCHEMBL4897265 0.91 MAPK10 (0.37) ALDH1A1MAPK10MCHR1HDAC1HDAC2
SCHEMBL4899822 0.91 HRH2 (0.33) DRD2DRD4DRD3HDAC6HRH2
SCHEMBL4894087 0.87 PPARA (0.36)
SCHEMBL4901698 0.86 ALDH1A1 (0.38) GCGRGIPRALDH1A1MAPK10MCHR1
SCHEMBL4895489 0.84 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1HDAC1HDAC6
SCHEMBL4898669 0.84 ALDH1A1 (0.39) ALDH1A1MAPK10MCHR1HDAC1HDAC6
SCHEMBL4900432 0.84 NR1H4 (0.31) HDAC1HDAC2HDAC6
SCHEMBL4898720 0.84 MAPK8 (0.36) ALDH1A1MAPK10
SCHEMBL4898519 0.84 ALDH1A1 (0.34) GCGRGIPRALDH1A1MAPK10MCHR1
SCHEMBL4889733 0.84 ALDH1A1 (0.38) ALDH1A1MAPK10MCHR1HDAC1HDAC2

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 GCGR 674/4885GIPR 163/4885ALDH1A1 3704/4885

“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.