SCHEMBL20515159

SCHEMBL20515159

CC(CCC(=O)NC(CC(=O)NC(CC(=O)N[C@@H](CCCCn1cc(CCCC(=O)Nc2nnc(S(N)(=O)=O)s2)nn1)C(=O)NCCOCCOCCN)C(=O)O)C(=O)O)(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 3/20 0.43
▸ ALB P02768 1/20 0.43
▸ CA1 P00915 4/20 0.38
▸ CA2 P00918 4/20 0.38
▸ CA12 O43570 2/20 0.38
▸ CA4 P22748 2/20 0.38
▸ CA14 Q9ULX7 2/20 0.38
▸ DGAT1 O75907 7/20 0.37
▸ FOLH1 Q04609 8/20 0.36

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
SCHEMBL29410425 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL20515160 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL29410424 1.00 CA9 (0.43) CA9ALBCA1CA2CA12
SCHEMBL18291960 0.95 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291963 0.94 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291997 0.94 CA9 (0.42) CA9ALBCA1CA2CA12
SCHEMBL18291987 0.93 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18291989 0.93 CA9 (0.41) CA9ALBCA1CA2CA12
SCHEMBL18281367 0.93 CA9 (0.39) CA9ALBCA1CA2CA12
SCHEMBL18291996 0.93 CA9 (0.47) 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-20180280523-A1 Small Molecule Drug Conjugates ETH-ZURICH (CH) 2018-10-04 — — 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-20180280523-A1 Small Molecule Drug Conjugates CA9, CA12, CA2 CA9 1/4885ALB 2274/4885CA1 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.

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