SCHEMBL4452498

SCHEMBL4452498

CC1COC(=O)N1c1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
S1PR1 P21453 7/20 0.40
S1PR3 Q99500 5/20 0.40
PIK3C3 Q8NEB9 1/20 0.37
PIK3CD O00329 1/20 0.36
MAP4K1 Q92918 1/20 0.35
PDE3B Q13370 4/20 0.35
PDE3A Q14432 4/20 0.35
FFAR2 O15552 1/20 0.35

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
SCHEMBL4449982 0.84 HDAC1 (0.39) HDAC1HDAC8HDAC6PIK3C3MAP4K1
SCHEMBL4458253 0.83 PDE3B (0.41) HDAC1HDAC8HDAC6PIK3C3MAP4K1
SCHEMBL4474713 0.80 PDE3B (0.39) S1PR1S1PR3PDE3BPDE3A
SCHEMBL6871051 0.74 NOTUM (0.44) MAP4K1
SCHEMBL8585033 0.74 NOTUM (0.44) MAP4K1
SCHEMBL6883044 0.74 NOTUM (0.44) MAP4K1
SCHEMBL2732936 0.74 NOTUM (0.43) PIK3C3
SCHEMBL4452503 0.74 P2RX7 (0.39) HDAC1HDAC8HDAC6S1PR1S1PR3
SCHEMBL14313872 0.73 PIK3C3 (0.48) HDAC1HDAC8HDAC6PIK3C3MAP4K1
SCHEMBL13278809 0.71 IDH1 (0.39) MAP4K1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 HDAC1 405/4885HDAC8 541/4885HDAC6 76/4885

“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.