SCHEMBL13246751

SCHEMBL13246751

CC(C)(C)C(=O)c1cc(-c2ccc(Cl)cc2)cs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALAD P13716 2/20 0.66
HDAC6 Q9UBN7 1/20 0.50
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 3/20 0.40
ULK1 O75385 1/20 0.38
ELANE P08246 1/20 0.36
ABL1 P00519 1/20 0.36
GAA P10253 1/20 0.36
BRAF P15056 1/20 0.35
IKBKB O14920 1/20 0.35
NOTUM Q6P988 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
MMP12 P39900 2/20 0.35
SHMT1 P34896 1/20 0.35
SHMT2 P34897 1/20 0.35

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
SCHEMBL13246754 0.85 HDAC6 (0.51) ALADHDAC6RAB9ANPC1L3MBTL1
SCHEMBL15177354 0.81 ALAD (0.72) ALADHDAC6RAB9ANPC1CNR1
SCHEMBL2652069 0.80 ALAD (1.00) ALADHDAC6RAB9ANPC1CNR1
SCHEMBL24176394 0.78 ALAD (0.72) ALADHDAC6CNR1IKBKBMAPT
SCHEMBL13246737 0.78 HDAC6 (0.44) ALADHDAC6ULK1POLBMMP12
SCHEMBL13267664 0.78 MMP12 (0.46) ALADHDAC6RAB9AL3MBTL1GAA
SCHEMBL13267656 0.77 ALAD (0.66) ALADHDAC6L3MBTL1CNR1ULK1
SCHEMBL21563725 0.77 ALAD (0.66) ALADHDAC6RAB9ACNR1ULK1
SCHEMBL6704697 0.77 ALAD (0.71) ALADRAB9ANPC1L3MBTL1CNR1
SCHEMBL13246818 0.76 HDAC6 (0.43) ALADHDAC6L3MBTL1ALDH1A1MAPT

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 ALAD 1681/4885HDAC6 1837/4885RAB9A 3020/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALAD 1681/4885HDAC6 1837/4885RAB9A 3020/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 ALAD 1681/4885HDAC6 1837/4885RAB9A 3020/4885

“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.