SCHEMBL733515

SCHEMBL733515

C=CCCCOC(=O)N[C@@H](CC(C)C)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
FOLH1 Q04609 9/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 1/20 0.43
TYR P14679 1/20 0.43
LAP3 P28838 3/20 0.42
PLA2G2A P14555 2/20 0.40
PLA2G5 P39877 2/20 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
SCHEMBL8951293 0.86 ALDH1A1 (0.51) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL2402155 0.86 ALDH1A1 (0.51) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL8250067 0.84 ALDH1A1 (0.39) ALDH1A1LMNAMAPTTYR
SCHEMBL732792 0.84 TGM2 (0.42)
SCHEMBL731863 0.83 TGM2 (0.46)
SCHEMBL3512595 0.83 TGM2 (0.46)
SCHEMBL2888631 0.82 TGM2 (0.42) ALDH1A1LMNAMAPT
SCHEMBL6444952 0.81 ALDH1A1 (0.53) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL1068731 0.81 PLA2G2A (0.55) ALDH1A1FOLH1MEN1LMNAKMT2A
SCHEMBL2455888 0.81 PLA2G2A (0.55) ALDH1A1FOLH1MEN1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2079479-B1 HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2014-11-26 EP disclosed
EP-1913016-B1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2013-01-16 EP disclosed
US-8278322-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8278322-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-10-02 US disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
US-8138164-B2 HCV NS3 protease inhibitors MERCK SHARP & DOHME CORP. (US) 2012-03-20 US disclosed
US-20110028494-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028494-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
US-20100317623-A1 HCV NS3 Protease Inhibitors MERCK SHARP & DOHME LLC 2010-12-16 US disclosed
WO-2008051475-A2 HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2008-05-02 WO disclosed
WO-2007016441-A1 MACROCYCLIC PEPTIDES AS HCV NS3 PROTEASE INHIBITORS MERCK & CO., INC. (US) 2007-02-08 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-20100317623-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885FOLH1 1838/4885MEN1 4761/4885
US-20110028494-A1 HCV NS3 Protease Inhibitors HAVCR2, GTF3C3, CTSC ALDH1A1 1199/4885FOLH1 1838/4885MEN1 4761/4885

“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.