SCHEMBL22651640

SCHEMBL22651640

CC(C)C[C@@H](C(=O)O[C@H](C)C(=O)N(C)[C@@H](CC(C)(C)F)C(=O)O[C@H](CCc1ccc(C2CCOCC2)cc1)C(=O)N(C)[C@@H](CC(C)C)C(=O)O[C@H](C)C(=O)OCc1ccccc1)N(C)C(=O)[C@@H](Cc1ccc(C2CCOCC2)cc1)OC(=O)[C@H](CC(C)(C)F)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 3/20 0.35
▸ CTSL P07711 1/20 0.35
▸ CTSB P07858 1/20 0.35
▸ CTSS P25774 1/20 0.35
▸ ITGB3 P05106 1/20 0.31
▸ ITGA2B P08514 1/20 0.31
▸ REN P00797 2/20 0.30

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
SCHEMBL22502819 0.97 CTSK (0.33) CTSKCTSLCTSBCTSSITGB3
SCHEMBL18256302 0.97 CTSK (0.35) CTSKCTSLCTSBCTSSITGB3
SCHEMBL22651542 0.96 CTSK (0.36) CTSKCTSLCTSBCTSSITGB3
SCHEMBL24093731 0.96 CTSK (0.36) CTSKCTSLCTSBCTSSITGB3
SCHEMBL18256466 0.96 CTSK (0.36) CTSKCTSLCTSBCTSSITGB3
SCHEMBL22651582 0.95 ITGB3 (0.32) CTSKCTSLCTSBCTSSITGB3
SCHEMBL19245151 0.94 ITGB3 (0.32) ITGB3ITGA2BREN
SCHEMBL24298092 0.94 ITGB3 (0.32) ITGB3ITGA2BREN
SCHEMBL29540912 0.93 CTSK (0.36) CTSKCTSLCTSBCTSSITGB3
SCHEMBL22651575 0.93 CTSK (0.39) CTSKCTSLCTSBCTSSITGB3

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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — 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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSK 204/4885CTSL 86/4885CTSB 101/4885

“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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