SCHEMBL30393147

SCHEMBL30393147

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 10/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CYP2D6 P10635 1/20 0.44
CTSS P25774 5/20 0.42
CTSL P07711 3/20 0.40
CTSB P07858 2/20 0.40
KMT2A Q03164 2/20 0.40
CA12 O43570 1/20 0.38
CA14 Q9ULX7 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
SCHEMBL4051480 1.00 CTSK (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL4172764 0.81 CA1 (0.45) CTSKCA1CA2CA7CYP2D6
SCHEMBL8220897 0.80 CA1 (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL16810043 0.80 CTSK (0.50) CTSKCA1CA2CA7CYP2D6
SCHEMBL29168072 0.80 CA1 (0.46) CTSKCA1CA2CA7CYP2D6
SCHEMBL23849248 0.75 CA1 (0.52) CTSKCA1CA2CA7CYP2D6
SCHEMBL148099 0.75 CA1 (0.52) CTSKCA1CA2CA7CYP2D6
SCHEMBL1371004 0.75 CA1 (0.52) CTSKCA1CA2CA7CYP2D6
SCHEMBL1369240 0.75 CA1 (0.52) CTSKCA1CA2CA7CYP2D6
SCHEMBL1563568 0.75 CA1 (0.52) CTSKCA1CA2CA7CYP2D6

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-20230138851-A1 NOVEL ALKYNE DERIVATIVES CARNA BIOSCIENCES, INC. (JP) 2023-05-04 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-20230138851-A1 NOVEL ALKYNE DERIVATIVES DYRK1B, DYRK3, DYRK2 CTSK 378/4885CA1 4322/4885CA2 2044/4885

“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.