SCHEMBL18256302

SCHEMBL18256302

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](Cc1ccc(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 14)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 5/20 0.35
▸ CTSL P07711 3/20 0.35
▸ CTSS P25774 3/20 0.35
▸ CTSB P07858 1/20 0.35
▸ ITGB3 P05106 1/20 0.33
▸ ITGA2B P08514 1/20 0.33
▸ REN P00797 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL22651542 0.99 CTSK (0.36) CTSKCTSLCTSSCTSBITGB3
SCHEMBL24093731 0.99 CTSK (0.36) CTSKCTSLCTSSCTSBITGB3
SCHEMBL18256466 0.99 CTSK (0.36) CTSKCTSLCTSSCTSBITGB3
SCHEMBL22651640 0.97 CTSK (0.35) CTSKCTSLCTSSCTSBITGB3
SCHEMBL29540912 0.96 CTSK (0.36) CTSKCTSLCTSSCTSBITGB3
SCHEMBL18256450 0.95 CTSK (0.38) CTSKCTSLCTSSCTSBITGB3
SCHEMBL18256322 0.95 ITGB3 (0.33) CTSKCTSLCTSSCTSBITGB3
SCHEMBL22502819 0.94 CTSK (0.33) CTSKCTSLCTSSCTSBITGB3
SCHEMBL24093725 0.94 CTSK (0.39) CTSKCTSLCTSSCTSBITGB3
SCHEMBL18256320 0.94 CTSK (0.39) CTSKCTSLCTSSCTSBITGB3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3922639-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2021-12-15 — — EP disclosed
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 — — EP disclosed
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — US disclosed
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — US disclosed
US-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-01-26 — — US disclosed
WO-2016187534-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2016-11-24 — — WO 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 (3 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-20170022253-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSK 204/4885CTSL 86/4885CTSS 245/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP CTSK 204/4885CTSL 86/4885CTSS 245/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSK 204/4885CTSL 86/4885CTSS 245/4885

“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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