SCHEMBL6798232

SCHEMBL6798232

CC(C)(C)OC(=O)N(Cc1ccc(-c2noc(C(F)(F)C(F)(F)C(F)(F)F)n2)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 15/20 0.48
HDAC1 Q13547 11/20 0.48
HDAC5 Q9UQL6 4/20 0.48
HDAC4 P56524 10/20 0.47
HDAC3 O15379 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 6/20 0.45
GRM2 Q14416 1/20 0.43

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
SCHEMBL6651313 0.96 HDAC6 (0.47) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL6793694 0.95 HDAC4 (0.50) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL6676557 0.91 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL29571861 0.89 HDAC4 (0.60) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL8363221 0.85 HDAC4 (0.46) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL20528841 0.76 HDAC4 (0.54) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL29741712 0.76 HDAC6 (0.49) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL21900051 0.75 HDAC4 (0.53) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL21900054 0.74 HDAC4 (0.55) HDAC6HDAC1HDAC5HDAC4HDAC3
SCHEMBL19745634 0.74 HDAC1 (0.83) HDAC6HDAC1HDAC5HDAC8

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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade PHARMACIA CORPORATION 2004-04-29 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-20040082585-A1 Prodrugs of substituted polycyclic compounds useful for selective inhibition of the coagulation cascade TFPI, F2, PLG HDAC6 2119/4885HDAC1 952/4885HDAC5 1209/4885

“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.