SCHEMBL20832191

SCHEMBL20832191

NC(=O)OCCSSC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CCCCCNC(=O)CCC(=O)Nc1nnc(S(N)(=O)=O)s1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 14/20 0.51
▸ ALB P02768 1/20 0.51
▸ CA1 P00915 19/20 0.50
▸ CA2 P00918 19/20 0.50
▸ CA4 P22748 13/20 0.50
▸ CA12 O43570 12/20 0.50
▸ CA14 Q9ULX7 12/20 0.50
▸ CA3 P07451 10/20 0.50
▸ CA6 P23280 10/20 0.50
▸ CA5A P35218 10/20 0.50
▸ CA7 P43166 10/20 0.50
▸ CA13 Q8N1Q1 10/20 0.50
▸ CA5B Q9Y2D0 10/20 0.50

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
SCHEMBL19370525 0.91 CA1 (0.54) CA9ALBCA1CA2CA4
SCHEMBL19370519 0.84 CA1 (0.61) CA9ALBCA1CA2CA4
SCHEMBL19370528 0.80 CA1 (0.55) CA9ALBCA1CA2CA4
SCHEMBL19370498 0.79 CA9 (0.59) CA9ALBCA1CA2CA4
SCHEMBL26259415 0.73 CA1 (0.54) CA9ALBCA1CA2CA4
SCHEMBL19359112 0.69 CA1 (0.83) CA9CA1CA2CA4CA12
SCHEMBL27277706 0.69 CA1 (0.73) CA9CA1CA2CA4CA12
SCHEMBL19359120 0.69 CA2 (0.77) CA9CA1CA2CA4CA12
SCHEMBL16983571 0.69 CA9 (0.53) CA9ALBCA1CA2CA4
SCHEMBL21478170 0.68 FOLH1 (0.44) —

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-20190083631-A1 CARBONIC ANHYDRASE IX INHIBITOR CONJUGATES AND USES THEREOF ENDOCYTE, INC. (US) 2019-03-21 — — 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-20190083631-A1 CARBONIC ANHYDRASE IX INHIBITOR CONJUGATES AND USES THEREOF CA9, CA13, CA4 CA9 1/4885ALB 2799/4885CA1 8/4885

“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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