SCHEMBL31402115

SCHEMBL31402115

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CTSK P43235 12/20 0.41
CYP2D6 P10635 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.37
CTSS P25774 4/20 0.37
CTSL P07711 1/20 0.35
CTSB P07858 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
SCHEMBL22035026 0.87 CA1 (0.46) CA1CA2CA7CTSKCYP2D6
SCHEMBL22079924 0.80 CYP2D6 (0.48) CA1CA2CA7CTSKCYP2D6
SCHEMBL19001229 0.80 CA1 (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL25974779 0.80 CA1 (0.53) CA1CA2CA7CTSKCYP2D6
SCHEMBL24780831 0.79 CA1 (0.44) CA1CA2CA7CTSKCYP2D6
SCHEMBL22034842 0.78 GRIK1 (0.33)
SCHEMBL17951340 0.78 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL7515863 0.78 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL19166265 0.78 CA1 (0.49) CA1CA2CA7CTSKCYP2D6
SCHEMBL22034841 0.78 GRIK1 (0.33)

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-12246008-B2 4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels MERCK SHARP & DOHME LLC (US) 2025-03-11 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-12246008-B2 4-amino or 4-alkoxy-substituted aryl sulfonamide compounds with selective activity in voltage-gated sodium channels TRPV1, SCN7A, SCN1A CA1 2378/4885CA2 496/4885CA7 891/4885

“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.