SCHEMBL4846912

SCHEMBL4846912

CCc1nc(CO)c(C)s1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.42
NPC1 O15118 1/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
COMT P21964 1/20 0.32
HSD17B10 Q99714 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.30
TLR8 Q9NR97 1/20 0.30
TLR7 Q9NYK1 1/20 0.30

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
SCHEMBL13330942 0.84 MAPK1 (0.41) GAANPC1MAPK1RAB9AKDM4E
SCHEMBL11315669 0.83 KDM4E (0.36) KDM4EALDH1A1
SCHEMBL4854599 0.78 NPC1 (0.38) GAANPC1MAPK1RAB9ACOMT
SCHEMBL10425520 0.78 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL4848384 0.75 PGK1 (0.32) GAANPC1MAPK1RAB9AKDM4E
SCHEMBL5543974 0.75
SCHEMBL14329776 0.74 NPC1 (0.42) GAANPC1MAPK1RAB9A
SCHEMBL1198830 0.73
SCHEMBL115387 0.72
SCHEMBL25328666 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7659289-B2 Hydroxyethylene-based β-secretase inhibitors and use thereof COMENTIS, INC. (US) 2010-02-09 US disclosed
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US disclosed
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. (US) 2008-08-28 US disclosed
US-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof COMENTIS, INC. 2008-05-29 US disclosed
US-7368578-B2 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-06 US disclosed
US-7335632-B2 Beta-secretase inhibitors and methods of use thereof COMENTIS, INC. (US) 2008-02-26 US disclosed
US-20060135578-A1 Five-membered heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-22 US disclosed
WO-2006034296-A2 AMINO-CONTAINING COMPOUNDS WHICH INHIBIT MEMAPSIN 2 BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2006-03-30 WO disclosed
EP-1541564-A1 FIVE-MEMBERED HETEROCYCLIC COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP 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 (3 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-20080125467-A1 Amino-Containing Compounds Which Inhibit Memapsin 2 Beta-Secretase Activity and Methods of Use Thereof BACE2, BACE1, PSEN2 GAA 157/4885NPC1 1137/4885MAPK1 2897/4885
US-20060135578-A1 Five-membered heterocyclic compounds GPR119, OR10J3, CYP11B1 GAA 1777/4885NPC1 822/4885MAPK1 1445/4885
US-20080207527-A1 Bicyclic Compounds Which Inhibit Beta-Secretase Activity and Methods of Use Thereof BACE1, BACE2, PSEN1 GAA 34/4885NPC1 201/4885MAPK1 3958/4885

“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.