SCHEMBL2406715

SCHEMBL2406715

CC(C)(C)C(NC(=O)c1cc2cc(Cl)ccc2o1)c1ccc(C(=O)NO)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 6/20 0.50
TAS1R1 Q7RTX1 6/20 0.50
HDAC3 O15379 3/20 0.46
HDAC1 Q13547 3/20 0.46
HDAC2 Q92769 3/20 0.46
HDAC6 Q9UBN7 3/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC4 P56524 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
BCAT1 P54687 2/20 0.42
ADAMTS4 O75173 1/20 0.41
ADAMTS5 Q9UNA0 1/20 0.41
MMP2 P08253 1/20 0.40
HRH4 Q9H3N8 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
SCHEMBL2406809 0.86 HDAC1 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL2407984 0.86 ALDH1A1 (0.55) TAS1R3TAS1R1TDP1SMN1; SMN2MEN1
SCHEMBL2409321 0.77 ALDH1A1 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL2467863 0.76 HDAC3 (0.55) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL445060 0.75 TAS1R3 (0.53) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL445061 0.75 TAS1R3 (0.70) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL2407496 0.75 ALDH1A1 (0.52) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL4816398 0.72 HDAC3 (0.53) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL444823 0.72 HDAC3 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2
SCHEMBL17254439 0.72 HDAC3 (0.51) TAS1R3TAS1R1HDAC3HDAC1HDAC2

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 8 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-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-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
WO-2011106632-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 WO 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 TAS1R3 2481/4885TAS1R1 3035/4885HDAC3 5/4885
US-20110212969-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC10, HDAC1 TAS1R3 2481/4885TAS1R1 3035/4885HDAC3 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.