SCHEMBL1884099

SCHEMBL1884099

CC(C)(C)c1ccc(S(=O)(=O)NCc2ccc3cc(C(=O)NO)sc3c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.66
HDAC8 Q9BY41 4/20 0.66
HDAC6 Q9UBN7 4/20 0.66
HDAC1 Q13547 9/20 0.55
HDAC11 Q96DB2 3/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
ALDH1A1 P00352 4/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.48
SLC2A1 P11166 1/20 0.47
NAMPT P43490 1/20 0.47
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.46
EPHX2 P34913 1/20 0.44

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
SCHEMBL8291858 0.90 HDAC3 (0.53) HDAC3HDAC8HDAC6HDAC1ALDH1A1
Hydroxyamine SCHEMBL4256643 0.89 HDAC3 (0.52) HDAC3HDAC8HDAC6HDAC1ALDH1A1
SCHEMBL1885459 0.89 HDAC1 (0.62) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL4256646 0.89 HDAC3 (0.51) HDAC3HDAC8HDAC6HDAC1ALDH1A1
SCHEMBL1891467 0.88 HDAC1 (0.57) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL1887003 0.87 HDAC1 (0.56) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL1888087 0.87 HDAC1 (0.56) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL1886090 0.86 HDAC1 (0.68) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL1885946 0.86 HDAC1 (0.59) HDAC3HDAC8HDAC6HDAC1HDAC11
SCHEMBL1884835 0.85 CYP19A1 (0.56) HDAC3HDAC8HDAC6HDAC1HDAC11

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-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US claimed
EP-1677731-A4 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA INC (US) 2009-05-06 EP claimed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US claimed
EP-1677731-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES Aton Pharma, Inc. (US) 2006-07-12 EP claimed
WO-2005034880-A2 THIOPHENE AND BENZOTHIOPHENE HYDROXAMIC ACID DERIVATIVES ATON PHARMA, INC. (US) 2005-04-21 WO claimed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-7935724-B2 Thiophene and benzothiophene hydroxamic acid derivatives MERCK HDAC RESEARCH, LLC (US) 2011-05-03 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 US disclosed
US-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives MERCK HDAC RESEARCH, LLC 2007-09-13 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 (1 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-20070213392-A1 Thiophene and Benzothiophene Hydroxamic Acid Derivatives BRDT, TXN, TXNRD2 HDAC3 27/4885HDAC8 75/4885HDAC6 14/4885

“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.