SCHEMBL1673449

SCHEMBL1673449

COc1ccc(CN[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c2ccc(OC)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CACNA1B Q00975 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CASR P41180 1/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
EPHX2 P34913 1/20 0.41
KMT2A Q03164 1/20 0.41
NR1H4 Q96RI1 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ANPEP P15144 1/20 0.41
ERAP2 Q6P179 1/20 0.41
GAA P10253 1/20 0.41

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
SCHEMBL15101521 0.84 ALDH1A1 (0.50) ALDH1A1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL12732987 0.81 ABCB1 (0.53) ABCB1PPARGPPARAALDH1A1LMNA
SCHEMBL12732988 0.80 ABCB1 (0.52) ABCB1PPARGPPARAALDH1A1LMNA
SCHEMBL18857841 0.80 ABCB1 (0.52) ABCB1PPARGPPARAALDH1A1LMNA
SCHEMBL16174112 0.79 ABCB1 (0.51) ABCB1PPARGPPARAALDH1A1LMNA
Methylene Chloride SCHEMBL27871993 0.79 ABCB1 (0.49) ABCB1PPARGPPARAALDH1A1LMNA
SCHEMBL5860845 0.79 ABCB1 (0.51) ABCB1PPARGPPARAALDH1A1RAB9A
SCHEMBL17935535 0.79 ABCB1 (0.48) ABCB1PPARGPPARAALDH1A1LMNA
Alcohol SCHEMBL27888261 0.78 ABCB1 (0.48) ABCB1PPARGPPARAALDH1A1LMNA
SCHEMBL887449 0.77 ABCB1 (0.49) ABCB1PPARGPPARAALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9650362-B2 Inhibitors PROBIODRUG AG (DE) 2017-05-16 US disclosed
US-9173885-B2 Inhibitors PROBIODRUG AG (DE) 2015-11-03 US disclosed
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 EP disclosed
US-20140065095-A1 NOVEL INHIBITORS VIVORYON THERAPEUTICS N.V. (DE) 2014-03-06 US disclosed
US-8486940-B2 Inhibitors PROBIODRUG AG (DE) 2013-07-16 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
US-20110092501-A1 NOVEL INHIBITORS PROBIODRUG AG (DE) 2011-04-21 US disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 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 (2 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-20110092501-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ABCB1 3567/4885PPARG 3022/4885PPARA 4159/4885
US-20140065095-A1 NOVEL INHIBITORS GLUL, QPCT, GLS ABCB1 3567/4885PPARG 3022/4885PPARA 4159/4885

“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.