SCHEMBL2408466

SCHEMBL2408466

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

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.49
HDAC8 Q9BY41 5/20 0.49
HDAC1 Q13547 8/20 0.46
TAS1R3 Q7RTX0 3/20 0.40
TAS1R1 Q7RTX1 3/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TRPA1 O75762 1/20 0.39
UTS2R Q9UKP6 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC3 O15379 1/20 0.38

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
SCHEMBL2407896 0.84 HDAC6 (0.51) HDAC6HDAC8HDAC1TAS1R3TAS1R1
SCHEMBL16047315 0.84 HDAC6 (0.51) HDAC6HDAC8HDAC1TAS1R3TAS1R1
SCHEMBL2406515 0.79 HDAC1 (0.53) HDAC6HDAC8HDAC1ALDH1A1TRPA1
SCHEMBL2409621 0.79 HDAC1 (0.53) HDAC6HDAC8HDAC1ALDH1A1TRPA1
SCHEMBL2408237 0.77 HDAC1 (0.61) HDAC6HDAC8HDAC1ALDH1A1TRPA1
SCHEMBL2408633 0.76 TAS1R3 (0.64) HDAC6HDAC8HDAC1TAS1R3TAS1R1
SCHEMBL2408717 0.76 NPC1 (0.63) UTS2R
SCHEMBL2476909 0.76 TAS1R3 (0.64) HDAC6HDAC8HDAC1TAS1R3TAS1R1
SCHEMBL2406610 0.76 HDAC6 (0.45) HDAC6HDAC8HDAC1TRPA1HDAC2
SCHEMBL2405537 0.75 HDAC6 (0.50) HDAC6HDAC1ALDH1A1

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

“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.