SCHEMBL2548460

SCHEMBL2548460

COc1ccc(N(C(=O)O)C(C)(C)C)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
KEAP1 Q14145 1/20 0.41
NFE2L2 Q16236 1/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7412320 0.84 HTT (0.43) LMNAHSD17B10CA1CA2NPC1
SCHEMBL5655847 0.83 PTGDR2 (0.38) LMNAL3MBTL1HSD17B10ALDH1A1MAPT
SCHEMBL5655590 0.79 CA12 (0.43) LMNAL3MBTL1CA12CA1CA2
SCHEMBL26677157 0.77 PARP15 (0.46) HSD17B10
SCHEMBL26677151 0.77 PARP15 (0.46) HSD17B10
SCHEMBL2219445 0.77 AKR1C3 (0.46) LMNANPC1ALDH1A1MAPTMEN1
SCHEMBL2219452 0.77 AKR1C3 (0.46) LMNANPC1ALDH1A1MAPTMEN1
SCHEMBL6117811 0.76 HSD17B10 (0.39) HSD17B10ALDH1A1MEN1KMT2AKEAP1
SCHEMBL2117365 0.75 SMN1; SMN2 (0.47) CA1CA2NPC1ALDH1A1MAPT
SCHEMBL17854031 0.75 CA12 (0.50) LMNAL3MBTL1CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2563765-B1 BICYCLIC COMPOUND DERIVATIVES AND THEIR USE AS ACC INHIBITORS. TAKEDA PHARMACEUTICAL (JP) 2015-05-27 EP disclosed
US-8703758-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-04-22 US disclosed
US-20110263562-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-27 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 (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-20110263562-A1 BICYCLIC COMPOUND ACACA, CPT1B, ACACB LMNA 1054/4885L3MBTL1 1235/4885HSD17B10 102/4885

“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.