SCHEMBL4900432

SCHEMBL4900432

COC(=O)C=Cc1ccc(-c2cn(C3CC3)c(=O)n2Cc2ccc(CP(=O)(OF)OF)c(Br)c2)cc1

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 9/20 0.31
HDAC2 Q92769 3/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
HDAC6 Q9UBN7 2/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
AKR1C3 P42330 1/20 0.31
ALOX5 P09917 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC10 Q969S8 1/20 0.30
HDAC11 Q96DB2 1/20 0.30
HDAC9 Q9UKV0 1/20 0.30
HDAC5 Q9UQL6 1/20 0.30
ADORA3 P0DMS8 1/20 0.30
ADORA2B P29275 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
SCHEMBL4900045 0.92 ADORA2B (0.31) HDAC11ADORA3ADORA2B
SCHEMBL4891960 0.84 GCGR (0.34) HDAC2HDAC1HDAC6
SCHEMBL4900440 0.84 PTPN1 (0.35) NR1H4AKR1C3
SCHEMBL4900427 0.84 PTPN1 (0.35) NR1H4AKR1C3
SCHEMBL4898720 0.82 MAPK8 (0.36) CNR2
SCHEMBL4899822 0.79 HRH2 (0.33) HDAC6
SCHEMBL4891992 0.74 MAPK10 (0.39)
SCHEMBL4900040 0.74 PTPN1 (0.37) HDAC1HDAC6HDAC4HDAC11ADORA2B
SCHEMBL4900050 0.74 PTPN1 (0.37) HDAC1HDAC6HDAC4HDAC11ADORA2B
SCHEMBL4890554 0.74 MAPK10 (0.38)

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 NR1H4 4205/4885HDAC2 2365/4885HDAC1 1578/4885

“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.