SCHEMBL13615817

SCHEMBL13615817

CC(C)Cc1cnc(-c2cccc(N)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 4/20 0.42
ASIC3 Q9UHC3 1/20 0.37
NOS3 P29474 6/20 0.36
NOS1 P29475 5/20 0.36
MAP3K5 Q99683 1/20 0.33
LARS1 Q9P2J5 1/20 0.33
BRS3 P32247 1/20 0.33
SRC P12931 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
MCHR1 Q99705 1/20 0.33
NOS2 P35228 4/20 0.33
TLR8 Q9NR97 1/20 0.32
TLR7 Q9NYK1 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
ALOX5AP P20292 1/20 0.31
FEN1 P39748 1/20 0.31

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
SCHEMBL13622982 0.84 ASIC3 (0.40) IDH1ASIC3NOS3NOS1BRS3
SCHEMBL10130760 0.79 IDH1 (0.46) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL4309177 0.78 ASIC3 (0.38) IDH1ASIC3NOS3NOS1SRC
SCHEMBL13437308 0.78 ALDH1A1 (0.50) TRPM8
SCHEMBL13615884 0.78 ASIC3 (0.40) IDH1ASIC3NOS3NOS1MAP3K5
SCHEMBL13615811 0.77 IDH1 (0.43) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL13629736 0.75 SRC (0.43) IDH1ASIC3NOS3NOS1MAP3K5
SCHEMBL13174733 0.75 FBP1 (0.43)
SCHEMBL13615819 0.72 IDH1 (0.46) IDH1ASIC3NOS3NOS1LARS1
SCHEMBL14409016 0.72 CYP11B1 (0.52)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2013-09-05 US disclosed
US-8383785-B2 Anti-bacterial activity of 9-hydroxy derivatives of 6,11-bicyclolides ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
WO-2009137737-A2 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6, 11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. (US) 2009-11-12 WO disclosed
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES ENANTA PHARMACEUTICALS, INC. 2009-11-12 US 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-20130231298-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885ASIC3 1928/4885NOS3 2927/4885
US-20090281050-A1 ANTI-BACTERIAL ACTIVITY OF 9-HYDROXY DERIVATIVES OF 6,11-BICYCLOLIDES CYP8B1, SI, CYP51A1 IDH1 1333/4885ASIC3 1928/4885NOS3 2927/4885

“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.