SCHEMBL2406733

SCHEMBL2406733

CC(C)(C)C(NC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 5/20 0.58
HDAC6 Q9UBN7 4/20 0.58
HDAC3 O15379 3/20 0.58
PDE2A O00408 8/20 0.50
HDAC1 Q13547 4/20 0.46
HDAC2 Q92769 1/20 0.44
TACR1 P25103 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL12279574 0.93 HDAC8 (0.50) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL2407846 0.92 PDE2A (0.54) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL2408922 0.85 HDAC1 (0.63) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL2409455 0.84 HDAC1 (0.48) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL2409463 0.84 HDAC1 (0.67) HDAC8HDAC6HDAC3HDAC1
SCHEMBL12279807 0.81 HDAC6 (0.61) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL12279645 0.78 HDAC1 (0.57) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL2407905 0.78 LMNA (0.57) HDAC8HDAC6PDE2AHDAC1
SCHEMBL2413458 0.77 HDAC1 (0.56) HDAC8HDAC6HDAC3PDE2AHDAC1
SCHEMBL12280148 0.77 HDAC1 (0.56) HDAC8HDAC6HDAC3PDE2AHDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US claimed
US-9382197-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-07-05 US disclosed
US-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-09-18 US disclosed
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 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 (2 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-20140275093-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC8 15/4885HDAC6 1/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC8 15/4885HDAC6 1/4885HDAC3 5/4885

“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.