SCHEMBL18476520

SCHEMBL18476520

NC(=O)CCC(=O)Nc1nnc(S(N)(=O)=O)s1

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 19/20 0.78
▸ CA2 P00918 19/20 0.78
▸ CA9 Q16790 16/20 0.78
▸ CA4 P22748 15/20 0.78
▸ CA12 O43570 12/20 0.78
▸ CA14 Q9ULX7 12/20 0.78
▸ CA3 P07451 10/20 0.78
▸ CA6 P23280 10/20 0.78
▸ CA5A P35218 10/20 0.78
▸ CA7 P43166 10/20 0.78
▸ CA13 Q8N1Q1 10/20 0.78
▸ CA5B Q9Y2D0 10/20 0.78

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
SCHEMBL27344529 0.88 CA1 (0.70) CA1CA2CA9CA4CA12
SCHEMBL16975090 0.88 CA2 (1.00) CA1CA2CA9CA4CA12
SCHEMBL18475604 0.87 CA1 (0.76) CA1CA2CA9CA4CA12
SCHEMBL13740942 0.86 CA2 (1.00) CA1CA2CA9CA4CA12
SCHEMBL308753 0.85 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL3793947 0.83 CA1 (1.00) CA1CA2CA9CA4CA12
SCHEMBL9674316 0.82 CA1 (0.74) CA1CA2CA9CA4CA12
Hydrochloric Acid SCHEMBL10446154 0.81 CA1 (0.97) CA1CA2CA9CA4CA12
SCHEMBL10958605 0.81 CA1 (0.74) CA1CA2CA9CA4CA12
Bromide SCHEMBL9403459 0.81 CA1 (0.97) CA1CA2CA9CA4CA12

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 2 patents. 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
US-20170035892-A1 Small Molecule Drug Conjugates ETH ZURICH (CH) 2017-02-09 — — 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 (2 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 CA1 10/4885CA2 3/4885CA9 1/4885
US-20170035892-A1 Small Molecule Drug Conjugates CA9, CA11, CA4 CA1 6/4885CA2 11/4885CA9 1/4885

“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.

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