SCHEMBL14617645

SCHEMBL14617645

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CYP2D6 P10635 1/20 0.42
APP P05067 1/20 0.41
CTSK P43235 10/20 0.39
ATM Q13315 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
CTSS P25774 4/20 0.37
CA4 P22748 1/20 0.36
CA9 Q16790 1/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL6829649 0.87 APP (0.43) CA1CA2CA7CYP2D6APP
SCHEMBL5199493 0.87 APP (0.43) CA1CA2CA7CYP2D6APP
SCHEMBL29130861 0.85 CA1 (0.44) CA1CA2CA7CYP2D6APP
SCHEMBL30714656 0.85 CA1 (0.44) CA1CA2CA7CYP2D6APP
SCHEMBL15071346 0.85 CA1 (0.44) CA1CA2CA7CYP2D6CTSK
SCHEMBL29401130 0.85 CA1 (0.44) CA1CA2CA7CYP2D6APP
SCHEMBL27758631 0.83 CA1 (0.42) CA1CA2CA7CYP2D6APP
SCHEMBL13594689 0.83 CYP2D6 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL10224759 0.83 CA1 (0.45) CA1CA2CA7CYP2D6CTSK
SCHEMBL25787520 0.83 CTSK (0.45) CA1CA2CA7CYP2D6CTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735599-B2 Substituted imidazole derivates NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2014-05-27 US disclosed
US-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES CHIRON CORPORATION 2013-01-17 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-20130017196-A1 SUBSTITUTED IMIDAZOLE DERIVATIVES ABCG2, CYP2C19, AADAC CA1 3855/4885CA2 1526/4885CA7 1441/4885

“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.