SCHEMBL3028971

SCHEMBL3028971

CC(C)(C)OCCC(=O)Nc1ccc2cc(C(=O)O)n(C(=O)OC(C)(C)C)c2c1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 14/20 0.46
ACSS2 Q9NR19 2/20 0.37
NR1H3 Q13133 2/20 0.37
GPR119 Q8TDV5 1/20 0.35
CYP1A2 P05177 1/20 0.34
ECE1 P42892 2/20 0.34

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
SCHEMBL3641237 0.91 ACSS2 (0.38) NR1H2ACSS2
SCHEMBL13560524 0.88 ECE1 (0.38) NR1H2ACSS2CYP1A2ECE1
SCHEMBL3033009 0.88 NR1H2 (0.41) NR1H2
SCHEMBL13560522 0.80 ECE1 (0.36) NR1H2ACSS2CYP1A2ECE1
SCHEMBL3641231 0.80 KMT2A (0.41) ACSS2
SCHEMBL13560523 0.77 ACSS2 (0.36) NR1H2ACSS2CYP1A2ECE1
SCHEMBL3027611 0.77 NR1H2 (0.47) NR1H2NR1H3GPR119
SCHEMBL22091341 0.74 NR1H2 (0.64) NR1H2NR1H3
SCHEMBL19013262 0.74 CCR9 (0.51) NR1H2NR1H3
SCHEMBL3033078 0.73 CDK1 (0.42) NR1H2

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-8304419-B2 Chemical compounds GLAXOSMITHKLINE LLC (US) 2012-11-06 US disclosed
US-20100216746-A1 CHEMICAL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2010-08-26 US disclosed
EP-2166856-A1 CHEMICAL COMPOUNDS GlaxoSmithKline LLC (US) 2010-03-31 EP disclosed
WO-2008154271-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-18 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-20100216746-A1 CHEMICAL COMPOUNDS SAMHD1, POLRMT, NUDT1 NR1H2 1873/4885ACSS2 1466/4885NR1H3 1596/4885

“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.