SCHEMBL21038543

SCHEMBL21038543

C=CCC[C@@H](CCC)S(N)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA9 Q16790 1/20 0.41
CA1 P00915 2/20 0.38
CA12 O43570 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL19284847 1.00 CA2 (0.41) CA2CA9CA1CA12CA7
SCHEMBL17542206 0.86 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL17542204 0.86 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL17542369 0.86 CA2 (0.42) CA2CA9CA1CA12CA7
SCHEMBL276258 0.82 CA2 (0.50) CA2CA9CA1CA12CA7
SCHEMBL23670999 0.80 CA2 (0.41) CA2CA9
SCHEMBL19285314 0.80 CA2 (0.41) CA2CA9
SCHEMBL19285491 0.80 CA2 (0.41) CA2CA9
SCHEMBL19285427 0.79 CA2 (0.46) CA2CA9CA1
SCHEMBL23668895 0.79 CA2 (0.46) CA2CA9CA1

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-10300075-B2 Compounds that inhibit MCL-1 protein AMGEN INC. (US) 2019-05-28 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-10300075-B2 Compounds that inhibit MCL-1 protein MCL1, BCL9, BCL2L1 CA2 4708/4885CA9 4746/4885CA1 4556/4885

“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.