SCHEMBL30679677

SCHEMBL30679677

CC(C)[C@@H](C(=O)NCCOCCOCCN)n1cc(-c2ccc(S(N)(=O)=O)cc2)nn1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA2 P00918 17/20 0.66
CA9 Q16790 6/20 0.66
CA1 P00915 6/20 0.66
CA12 O43570 5/20 0.66
CA4 P22748 5/20 0.66
CA14 Q9ULX7 5/20 0.66
CA5A P35218 4/20 0.66
CA5B Q9Y2D0 4/20 0.66
CA3 P07451 3/20 0.66
CA6 P23280 3/20 0.66
CA7 P43166 3/20 0.66
CA13 Q8N1Q1 3/20 0.66
PTGS2 P35354 1/20 0.39

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
SCHEMBL30679676 1.00 CA2 (0.66) CA2CA9CA1CA12CA4
SCHEMBL18470093 0.93 CA2 (0.66) CA2CA9CA1CA12CA4
SCHEMBL20603564 0.93 CA2 (0.68) CA2CA9CA1CA12CA4
SCHEMBL16983590 0.89 CA2 (0.61) CA2CA9CA1CA12CA4
SCHEMBL3733081 0.84 CA2 (0.71) CA2CA9CA1CA12CA4
SCHEMBL3733073 0.84 CA2 (0.71) CA2CA9CA1CA12CA4
Fluorescein SCHEMBL20603559 0.82 CA2 (0.49) CA2CA9CA1CA12CA4
SCHEMBL3732449 0.79 CA2 (1.00) CA2CA9CA1CA12CA4
SCHEMBL3732451 0.79 CA2 (1.00) CA2CA9CA1CA12CA4
SCHEMBL3727802 0.79 CA2 (0.70) CA2CA9CA1CA12CA4

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-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES EIDGENOESSICHE TECHNISCHE HOCHSCHULE ZURICH (CH) 2023-11-30 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-20230381324-A1 SMALL MOLECULE DRUG CONJUGATES CA9, CA12, CA2 CA2 3/4885CA9 1/4885CA1 10/4885

“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.