SCHEMBL13246752

SCHEMBL13246752

CC(C)(C)C(=O)c1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.48
CES1 P23141 3/20 0.48
MAP4K4 O95819 1/20 0.47
ELANE P08246 1/20 0.47
POLB P06746 1/20 0.47
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
PGR P06401 1/20 0.45
AR P10275 1/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
FABP2 P12104 1/20 0.42

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
SCHEMBL17187854 0.94 CES2 (0.54) CES2CES1ELANEPOLBALOX15
SCHEMBL198250 0.94 CES2 (0.54) CES2CES1ELANEPOLBALOX15
SCHEMBL15745797 0.89 PGR (0.51) ELANEPGRARCA1CA2
SCHEMBL26056630 0.86 RXRA (0.61) MAP4K4PGRARRXRARXRB
SCHEMBL11530823 0.82 ELANE (0.56) ELANETSHRRAB9ASMN1; SMN2FABP2
SCHEMBL10031827 0.82 PGR (0.47) CES2CES1ELANETSHRPGR
SCHEMBL26056631 0.81 SCN9A (0.54) TSHRPGRARNPC1RAB9A
SCHEMBL13246736 0.81 CA2 (0.52) CES2CES1PGRARCA2
SCHEMBL20630801 0.81 HSD17B1 (0.59) ELANEPGRARCA1CA2
SCHEMBL8237871 0.81 SMN1; SMN2 (0.59) PGRARNPC1RAB9ASMN1; SMN2

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 CES2 3242/4885CES1 2802/4885MAP4K4 3104/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CES2 3242/4885CES1 2802/4885MAP4K4 3104/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CES2 3242/4885CES1 2802/4885MAP4K4 3104/4885

“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.