SCHEMBL29540941

SCHEMBL29540941

CN[C@@H](CC(C)C)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)OCc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CTSK P43235 12/20 0.37
CTSL P07711 7/20 0.37
CTSS P25774 5/20 0.37
CTSB P07858 2/20 0.34
REN P00797 1/20 0.34
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33

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
SCHEMBL18256300 0.91 CTSK (0.36) CTSKCTSLCTSSCTSBREN
SCHEMBL19088513 0.90 REN (0.34) CTSKCTSLCTSSCTSBREN
SCHEMBL18256326 0.89 KDM1A (0.33) CTSKCTSLCTSSCTSBREN
SCHEMBL29540912 0.89 CTSK (0.36) CTSKCTSLCTSSCTSBREN
SCHEMBL18256506 0.89 REN (0.32) REN
SCHEMBL18256470 0.88 CTSK (0.39) CTSKCTSLCTSSCTSBREN
SCHEMBL19245087 0.87 REN (0.32) REN
SCHEMBL18256455 0.87 CTSK (0.40) CTSKCTSLCTSSCTSBREN
SCHEMBL24297688 0.87 STAT3 (0.30)
SCHEMBL18256549 0.87 SYK (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 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 (2 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-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 CTSK 111/4885CTSL 77/4885CTSS 156/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSK 185/4885CTSL 129/4885CTSS 264/4885

“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.