SCHEMBL4367316

SCHEMBL4367316

CC(C)(C)OC(=O)NC[C@@H](C(=O)O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.47
CTSS P25774 1/20 0.47
CTSK P43235 1/20 0.47
GABRB1 P18505 1/20 0.47
GABRB2 P47870 1/20 0.47
KDM4A O75164 1/20 0.45
ACACB O00763 1/20 0.45
SYK P43405 1/20 0.45
AKR1C3 P42330 4/20 0.44
AKR1C2 P52895 4/20 0.44
AKR1C1 Q04828 1/20 0.44
PTGS1 P23219 1/20 0.44
CYP2D6 P10635 7/20 0.43
SLC6A2 P23975 7/20 0.43
SLC6A4 P31645 7/20 0.43
SLC6A3 Q01959 7/20 0.43
KCNH2 Q12809 5/20 0.43
CYP3A4 P08684 3/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43

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
SCHEMBL28395771 1.00 CTSB (0.47) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL29182096 0.88 MTNR1A (0.47) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL6575223 0.88 CTSS (0.46) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL6445274 0.86 CTSS (0.60) CTSBCTSSCTSK
SCHEMBL266022 0.85 CTSK (0.51) CTSBCTSSCTSKKDM4ASYK
SCHEMBL118384 0.85 CTSK (0.51) CTSBCTSSCTSKKDM4ASYK
SCHEMBL266021 0.85 CTSK (0.51) CTSBCTSSCTSKKDM4ASYK
SCHEMBL6165666 0.85 CTSS (0.44) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL9525653 0.85 CYP2D6 (0.58) CTSBCTSSCTSKGABRB1GABRB2
SCHEMBL6239859 0.84 MEN1 (0.46) CTSBCTSSCTSKGABRB1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof AUBURN UNIVERSITY (US) 2009-11-19 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 (1 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-20090286968-A1 2-Quinoxalinol Salen Compounds and Uses Thereof NQO1, NQO2, SQOR CTSB 3350/4885CTSS 3244/4885CTSK 2799/4885

“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.