SCHEMBL2418352

SCHEMBL2418352

CC(C)(C)OC(=O)c1cccc2[nH]nnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
GABRA4 P48169 1/20 0.39
GABRE P78334 1/20 0.39
GABRA6 Q16445 1/20 0.39
GABRG1 Q8N1C3 1/20 0.39
GABRG3 Q99928 1/20 0.39
GABRQ Q9UN88 1/20 0.39
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PARP1 P09874 8/20 0.37
AR P10275 2/20 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
SCHEMBL717583 0.83 PKN1 (0.50) ALDH1A1LMNAPKN1PKN2RIPK1
SCHEMBL27424880 0.81 PARP1 (0.38) PARP1PKN1PKN2RIPK1
SCHEMBL10450919 0.80 PARP1 (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28405125 0.80 PKN1 (0.35) PARP1ALDH1A1PKN1PKN2RIPK1
SCHEMBL6395560 0.79 TSHR (0.53) PARP1ALDH1A1LMNA
SCHEMBL8853708 0.78 PBRM1 (0.40) PARP1
SCHEMBL2188295 0.77 PARP1 (0.39) PARP1PKN1PKN2
SCHEMBL11086452 0.77 PKN1 (0.34) PARP1PKN1PKN2RIPK1
SCHEMBL3838769 0.77 ALDH1A1 (0.54) ADRA1AALDH1A1LMNA
SCHEMBL4813379 0.76 PARP1 (0.38) PARP1PKN1PKN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-12-17 US claimed
EP-3087085-A1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE Gilead Sciences, Inc. (US) 2016-11-02 EP disclosed
WO-2015100145-A1 SYNTHESIS OF A MACROCYCLIC HCV NS3 INHIBITING TRIPEPTIDE GILEAD SCIENCES, INC. (US) 2015-07-02 WO disclosed
EP-2046733-B1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES ITALIANA SINT SPA (IT) 2011-10-05 EP disclosed
EP-2046733-B1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES ITALIANA SINT SPA (IT) 2011-10-05 EP disclosed
US-8026372-B2 Process for the preparation of ε-alkoxycarbonyllysines and their analogues F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2011-09-27 US disclosed
US-8026372-B2 Process for the preparation of ε-alkoxycarbonyllysines and their analogues F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2011-09-27 US disclosed
US-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-12-17 US disclosed
US-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-12-17 US disclosed
EP-2046733-A1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-04-15 EP disclosed
EP-2046733-A1 PROCESS FOR THE PREPARATION OF EPSILON-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2009-04-15 EP disclosed
US-20080242685-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2008-10-02 US disclosed
EP-1940296-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2008-07-09 EP disclosed
WO-2008014811-A8 PROCESS FOR THE PREPARATION OF ε-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES ITALIANA SINT SPA (IT) 2008-06-05 WO disclosed
WO-2008014811-A1 PROCESS FOR THE PREPARATION OF ε-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2008-02-07 WO disclosed
WO-2008014811-A1 PROCESS FOR THE PREPARATION OF ε-ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES F.I.S. FABBRICA ITALIANA SINTETICI S.P.A (IT) 2008-02-07 WO disclosed
WO-2007114848-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-10-11 WO disclosed
WO-2005092882-A1 4-AMINO-5-HALOGENO-BENZAMIDE DERIVATIVES AS 5-HT4 RECEPTOR AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL, CNS, NEUROLOGICAL AND CARDIOVASCULAR DISORDERS PFIZER JAPAN, INC. (JP) 2005-10-06 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-20080242685-A1 Chemical Compounds NFKBIA, IKBKG, NFKB2 GABRP 3847/4885GABRD 3337/4885GABRA1 2708/4885
US-20090312557-A1 PROCESS FOR THE PREPARATION OF EPSILON -ALKOXYCARBONYLLYSINES AND THEIR ANALOGUES AADAT, ALKBH3, BCAT2 GABRP 416/4885GABRD 70/4885GABRA1 176/4885

“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.