SCHEMBL21117586

SCHEMBL21117586

CC(CCC(=O)N[C@@H](CC(=O)N[C@@H](CC(=O)N[C@@H](CCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1)C(=O)NCCOCCOCCNC(=O)CN1CCCN(CC(=O)O)CCCN(CC(=O)O)CC1)C(=O)O)C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 4/20 0.40
▸ ALB P02768 1/20 0.40
▸ CA1 P00915 5/20 0.35
▸ CA2 P00918 5/20 0.35
▸ CA12 O43570 2/20 0.35
▸ CA4 P22748 2/20 0.35
▸ CA14 Q9ULX7 2/20 0.35
▸ DGAT1 O75907 8/20 0.35
▸ FOLH1 Q04609 5/20 0.35
▸ CHRNA7 P36544 1/20 0.34
▸ CHRNA10 Q9GZZ6 1/20 0.34
▸ CHRNA9 Q9UGM1 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
SCHEMBL18281370 0.99 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18281369 0.99 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL19605919 0.95 CA9 (0.39) CA9ALBCA1CA2CA12
SCHEMBL19605828 0.92 CA9 (0.38) CA9ALBCA1CA2CA12
SCHEMBL18292015 0.91 DGAT1 (0.37) DGAT1FOLH1CHRNA7CHRNA10CHRNA9
SCHEMBL20515160 0.91 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL20515159 0.91 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL29410425 0.91 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL29410424 0.91 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL18291960 0.90 CA9 (0.42) CA9ALBCA1CA2CA12

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-20190192699-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2019-06-27 — — 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-20190192699-A1 NUCLEAR IMAGING AND RADIOTHERAPEUTICS AGENTS TARGETING CARBONIC ANHYDRASE IX AND USES THEREOF CA9, CA14, CA13 CA9 1/4885ALB 3084/4885CA1 7/4885

“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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