SCHEMBL2423650

SCHEMBL2423650

CC(C)(C)OC(=O)NCCNc1cc(C(=O)O)ccc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MALT1 Q9UDY8 1/20 0.42
BRD4 O60885 2/20 0.42
MAPT P10636 1/20 0.41
PTGER4 P35408 1/20 0.41
BCHE P06276 1/20 0.41
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
LATS1 O95835 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CDK2 P24941 1/20 0.38
IDO1 P14902 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL19020075 0.85 PTGER4 (0.48) MALT1BRD4MAPTPTGER4BCHE
SCHEMBL19058450 0.79 HCAR3 (0.52) MAPTGAAKMT2A
SCHEMBL5240270 0.79 BRD4 (0.48) BRD4MAPTPTGER4CA12CA1
SCHEMBL30167054 0.78 APEX1 (0.45) MALT1BCHEADORA3ADORA2APDE3B
SCHEMBL24172366 0.78 APEX1 (0.45) MALT1BCHEADORA3ADORA2APDE3B
SCHEMBL2425639 0.78 HCAR3 (0.55) MAPTPTGER4GAA
SCHEMBL2429456 0.77 PTGER4 (0.67) MAPTPTGER4CA12CA1CA2
SCHEMBL2424765 0.77 ALDH1A1 (0.43) MAPTPTGER4MEN1GAAKMT2A
SCHEMBL22419858 0.77 MALT1 (0.49) MALT1BRD4MAPTBCHECA12
SCHEMBL15173234 0.76 PTGER4 (0.58) BRD4MAPTPTGER4CA12CA1

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-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 US disclosed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 EP disclosed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 US disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 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-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 MALT1 1016/4885BRD4 4218/4885MAPT 586/4885

“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.