SCHEMBL2405533

SCHEMBL2405533

C[C@@H](NC(=O)C(C)(C)C)c1ccc(C(=O)NO)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.49
HDAC3 O15379 7/20 0.49
HDAC4 P56524 6/20 0.49
L3MBTL1 Q9Y468 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HDAC6 Q9UBN7 8/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC7 Q8WUI4 3/20 0.36
HDAC2 Q92769 3/20 0.36
HDAC10 Q969S8 3/20 0.36
HDAC11 Q96DB2 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36
CYP2C9 P11712 3/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ADRA2C P18825 1/20 0.34
MAOA P21397 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL2408139 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL2406062 0.82 HDAC1 (0.47) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL2410703 0.76 HDAC3 (0.50) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL12271558 0.75 HTT (0.35) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL2408795 0.75 HDAC1 (0.72) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL12271271 0.74 HSD17B10 (0.56) HDAC1HDAC3HDAC4HDAC6HDAC8
SCHEMBL12271636 0.74 HDAC1 (0.33) HDAC1HDAC3HDAC4ALDH1A1HDAC6
SCHEMBL12319067 0.74 HDAC1 (0.53) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL2412161 0.74 BRAF (0.39) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1
SCHEMBL12271782 0.74 BRAF (0.39) HDAC1HDAC3HDAC4L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-9227951-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-01-05 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-14 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-8546588-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-09-01 US disclosed
US-20110213003-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-20110213003-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 7/4885
US-20140228416-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC3 HDAC1 2/4885HDAC3 3/4885HDAC4 7/4885

“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.