SCHEMBL1360883

SCHEMBL1360883

CCCCCCCCC(CCCC)C(N)=O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.72
CA1 P00915 2/20 0.72
GRIK1 P39086 2/20 0.53
GRIK2 Q13002 2/20 0.53
SLC1A2 P43004 2/20 0.50
SLC1A1 P43005 2/20 0.50
MAPK1 P28482 1/20 0.50
GPR84 Q9NQS5 5/20 0.48
FFAR1 O14842 1/20 0.48
SLC1A3 P43003 1/20 0.47
EPHX1 P07099 1/20 0.47
FDPS P14324 1/20 0.47
MAPT P10636 1/20 0.47
LCK P06239 1/20 0.47
PPARD Q03181 1/20 0.47
ZDHHC20 Q5W0Z9 1/20 0.47
ZDHHC2 Q9UIJ5 1/20 0.47

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
SCHEMBL9625784 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL7572528 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL2919231 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL8059908 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL17573070 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL10885897 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL27698121 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL15111174 1.00 CA2 (0.72) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL16098865 0.98 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2
SCHEMBL10866159 0.98 CA2 (0.68) CA2CA1GRIK1GRIK2SLC1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US claimed
US-8067582-B2 Fused heterocyclic compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2011-11-29 US disclosed
US-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQIOBB COMPANY 2010-12-30 US disclosed
EP-2170899-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2010-04-07 EP disclosed
WO-2009003077-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-31 WO 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-20100331324-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION NR5A1, AR, ESRRA CA2 4120/4885CA1 3224/4885GRIK1 856/4885

“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.