SCHEMBL2408237

SCHEMBL2408237

CC(C)[C@@H](NC(=O)NC(C)(C)C)c1ccc(C(=O)NO)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.61
HDAC6 Q9UBN7 11/20 0.54
HDAC8 Q9BY41 9/20 0.54
TRPA1 O75762 1/20 0.47
HDAC2 Q92769 4/20 0.41
HDAC3 O15379 5/20 0.41
HDAC11 Q96DB2 4/20 0.40
HDAC4 P56524 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
ALDH1A1 P00352 1/20 0.40
NR1H4 Q96RI1 1/20 0.40

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
SCHEMBL2406515 0.85 HDAC1 (0.53) HDAC1HDAC6HDAC8TRPA1HDAC2
SCHEMBL2409621 0.85 HDAC1 (0.53) HDAC1HDAC6HDAC8TRPA1HDAC2
SCHEMBL2408049 0.82 HDAC1 (0.64) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2405287 0.81 HDAC1 (0.71) HDAC1HDAC6HDAC8HDAC3HDAC11
SCHEMBL8295706 0.80 HDAC1 (0.53) HDAC1TRPA1ALDH1A1
SCHEMBL2406610 0.79 HDAC6 (0.45) HDAC1HDAC6HDAC8TRPA1HDAC2
SCHEMBL2406380 0.78 HDAC1 (0.74) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2406452 0.78 HDAC1 (0.74) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2408190 0.78 HDAC1 (0.91) HDAC1HDAC6HDAC8HDAC2HDAC3
SCHEMBL2408466 0.77 HDAC6 (0.49) HDAC1HDAC6HDAC8TRPA1HDAC2

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 HDAC1 3/4885HDAC6 1/4885HDAC8 15/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 HDAC1 3/4885HDAC6 1/4885HDAC8 15/4885

“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.