SCHEMBL13246773

SCHEMBL13246773

CCCCCCC(CCCC)C(=O)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.59
MAPK1 P28482 1/20 0.48
GRIK1 P39086 2/20 0.47
GRIK2 Q13002 2/20 0.47
GPR84 Q9NQS5 6/20 0.47
CA1 P00915 3/20 0.47
FFAR1 O14842 1/20 0.47
FDPS P14324 1/20 0.46
MAPT P10636 1/20 0.45
LCK P06239 1/20 0.45
PPARD Q03181 1/20 0.45
ZDHHC20 Q5W0Z9 1/20 0.45
ZDHHC2 Q9UIJ5 1/20 0.45
SLC1A2 P43004 1/20 0.44
SLC1A1 P43005 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
SCHEMBL26304628 0.98 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL25834794 0.98 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL19388762 0.98 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL19245747 0.98 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL18543797 0.87 CA2 (0.54) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL26366233 0.87 FAAH (0.50) FFAR1MAPTPPARD
SCHEMBL10001196 0.84 CA2 (0.61) CA2MAPK1CA1MAPTSLC1A2
SCHEMBL23583802 0.83 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL22274658 0.83 CA2 (0.55) CA2MAPK1GRIK1GRIK2GPR84
SCHEMBL8462687 0.83 CA2 (0.48) CA2GRIK1GRIK2GPR84FFAR1

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 CA2 2748/4885MAPK1 3869/4885GRIK1 3598/4885
US-20100184649-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA2 2748/4885MAPK1 3869/4885GRIK1 3598/4885
US-20140073558-A1 NOVEL ANTIBACTERIAL AGENTS FOR THE TREATMENT OF GRAM POSITIVE INFECTIONS CLPP, CLPTM1, RPN1 CA2 2748/4885MAPK1 3869/4885GRIK1 3598/4885

“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.