SCHEMBL13246737

SCHEMBL13246737

CC(C)Sc1ccc(-c2csc(C(=O)C(C)(C)C)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.44
ALAD P13716 2/20 0.40
STK17B O94768 1/20 0.34
XDH P47989 1/20 0.34
MMP12 P39900 8/20 0.33
MMP13 P45452 3/20 0.33
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
PTGS1 P23219 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP8 P22894 1/20 0.32
AR P10275 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ULK1 O75385 1/20 0.30
GRIA4 P48058 1/20 0.30

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
SCHEMBL2492675 0.84 ALAD (0.58) HDAC6ALADSTK17BXDHMMP12
SCHEMBL15177353 0.84 TP53 (0.44) HDAC6ALADSTK17BXDHMMP12
SCHEMBL13246817 0.83 ALAD (0.42) HDAC6ALADSTK17BXDHMMP12
SCHEMBL13267845 0.81 ALAD (0.40) HDAC6ALADSTK17BXDHMMP12
SCHEMBL13246754 0.79 HDAC6 (0.51) HDAC6ALADMMP12MMP13AR
SCHEMBL13246818 0.78 HDAC6 (0.43) HDAC6ALADMMP12PTGS1AR
SCHEMBL13246751 0.78 ALAD (0.66) HDAC6ALADMMP12POLBULK1
SCHEMBL15503225 0.76 THRB (0.40) HDAC6ALADXDHAR
SCHEMBL13246819 0.75 THRB (0.42) HDAC6ALADXDH
SCHEMBL13267664 0.72 MMP12 (0.46) HDAC6ALADMMP12MMP13MMP8

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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS MERCK SHARP & DOHME CORP. (US) 2015-11-26 US disclosed
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. (US) 2014-03-13 US disclosed
US-8507647-B2 Antibacterial agents for the treatment of gram positive infections CUBIST PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CUBIST PHARMACEUTICALS, INC. 2010-07-22 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 (3 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-20150337013-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 HDAC6 1837/4885ALAD 1681/4885STK17B 2673/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 HDAC6 1837/4885ALAD 1681/4885STK17B 2673/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 HDAC6 1837/4885ALAD 1681/4885STK17B 2673/4885

“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.