SCHEMBL27175264

SCHEMBL27175264

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CYP2D6 P10635 1/20 0.42
CTSK P43235 7/20 0.41
CTSS P25774 3/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
AAK1 Q2M2I8 3/20 0.39
ATM Q13315 1/20 0.39
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL27175268 1.00 CA1 (0.46) CA1CA2CA7CYP2D6CTSK
SCHEMBL3735437 0.91 CA1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL24298346 0.88 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL29457854 0.88 CA1 (0.47) CA1CA2CA7CYP2D6CTSK
SCHEMBL57148 0.87 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL90111 0.87 CA1 (0.50) CA1CA2CA7CYP2D6CTSK
SCHEMBL9191203 0.85 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL24311830 0.85 TDP1 (0.49) CA1CA2CA7CYP2D6CTSK
SCHEMBL21660257 0.85 CTSK (0.49) CA1CA2CA7CTSKCTSS
SCHEMBL24046267 0.85 CA1 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240092739-A1 COMPOUNDS AND METHODS OF USE VENTHERA, INC. 2024-03-21 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-20240092739-A1 COMPOUNDS AND METHODS OF USE AIFM2, SLC40A1, GPX4 CA1 2167/4885CA2 1427/4885CA7 2218/4885

“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.