SCHEMBL29323586

SCHEMBL29323586

CC(CNC(=O)OC(C)(C)C)C[C@H](C)CN

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PCSK9 Q8NBP7 1/20 0.43
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
CTSS P25774 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
AAK1 Q2M2I8 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SYK P43405 1/20 0.36
CAPN1 P07384 1/20 0.36
SERPINE1 P05121 1/20 0.36
CYP2D6 P10635 1/20 0.36
CPB2 Q96IY4 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
SCHEMBL24363223 1.00 PCSK9 (0.43) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL18085396 0.91 CA1 (0.46) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL6560538 0.91 CA1 (0.46) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL21361608 0.91 CA1 (0.46) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL30993330 0.91 CA1 (0.46) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL19426631 0.87 MEN1 (0.43) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL1696837 0.85 TDP1 (0.45) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL21575186 0.84 CTSK (0.51) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL21114186 0.84 MEN1 (0.40) PCSK9MEN1GAAKMT2ACTSS
SCHEMBL1105702 0.84 PCSK9 (0.50) PCSK9MEN1GAAKMT2ACTSS

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-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS TAXIS PHARMACEUTICALS, INC. 2024-07-18 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-20240239771-A1 BACTERIAL EFFLUX PUMP INHIBITORS ABCB11, ABCB1, SLC47A1 PCSK9 1556/4885MEN1 4282/4885GAA 187/4885

“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.