SCHEMBL7565916

SCHEMBL7565916

CC(C)C[C@H](N)C(=O)NCC(O)CNS(=O)(=O)c1ccccc1OCc1ccccc1.CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(NS(=O)(=O)c1ccccc1OCc1ccccc1)C(NC(=O)[C@@H](N)CC(C)C)C(O)CNS(=O)(=O)c1ccccc1OCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.38
▸ CTSS P25774 3/20 0.38
▸ REN P00797 3/20 0.38
▸ CA5A P35218 1/20 0.38
▸ PSEN1 P49768 5/20 0.37
▸ PSEN2 P49810 5/20 0.37
▸ APH1B Q8WW43 5/20 0.37
▸ NCSTN Q92542 5/20 0.37
▸ APH1A Q96BI3 5/20 0.37
▸ PSENEN Q9NZ42 5/20 0.37
▸ BACE1 P56817 3/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CTSL P07711 2/20 0.37

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
SCHEMBL7163407 0.85 CTSK (0.47) CTSKCTSSRENCA5ACTSL
SCHEMBL7412248 0.83 CTSK (0.44) CTSKCTSSRENCA5ABACE1
SCHEMBL7160715 0.80 LARS1 (0.44) CTSK
SCHEMBL7610538 0.78 CTSK (0.56) CTSKCTSSCA5ACA1CTSL
SCHEMBL7467714 0.74 CTSK (0.46) CTSKCTSSRENPSEN1PSEN2
SCHEMBL7518972 0.73 CTSK (0.38) CTSKCTSSRENCA5APSEN1
SCHEMBL27555854 0.69 CTSK (0.56) CTSKCTSSCA5ACA1CTSL
SCHEMBL6618230 0.69 CTSK (0.47) CTSKCTSSRENPSEN1PSEN2
SCHEMBL6635507 0.67 CTSK (0.46) CTSKCTSSRENPSEN1PSEN2
SCHEMBL7240364 0.67 CTSK (0.53) CTSKCTSSCA5ACA1CTSL

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-20020077455-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2002-06-20 — — 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-20020077455-A1 Protease inhibitors CTSK, CTSZ, CTSG CTSK 1/4885CTSS 8/4885REN 740/4885

“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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