SCHEMBL21266697

SCHEMBL21266697

COC(=O)[C@H](CC1CC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.39
CTSK P43235 2/20 0.39
AAK1 Q2M2I8 3/20 0.35
MMP13 P45452 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
NR1H2 P55055 1/20 0.33
HSD11B1 P28845 1/20 0.33
KMT2A Q03164 1/20 0.33
REN P00797 1/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSH P09668 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 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
SCHEMBL19385609 0.94 CTSK (0.40) CTSSCTSKAAK1MMP13REN
SCHEMBL29097283 0.88 AAK1 (0.33) CTSSCTSKAAK1MMP13CA12
SCHEMBL25183012 0.85 CTSS (0.40) CTSSCTSKAAK1MMP13NR1H2
SCHEMBL19088611 0.85 CTSS (0.37) CTSSCTSKAAK1MMP13NR1H2
SCHEMBL1337408 0.85 CTSS (0.40) CTSSCTSKAAK1MMP13NR1H2
SCHEMBL8269704 0.84 CTSS (0.36) CTSSCTSKAAK1MMP13NR1H2
SCHEMBL23519021 0.83 CTSS (0.34) CTSSCTSKAAK1MMP13NR1H2
SCHEMBL21266643 0.82 CTSS (0.33) CTSSCTSKAAK1MMP13
SCHEMBL20309981 0.80 CA1 (0.40) CTSSCTSKAAK1MMP13CA12
SCHEMBL18235375 0.80 AAK1 (0.38) CTSSCTSKAAK1MMP13CA12

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
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 EP disclosed
US-11230571-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-01-25 US disclosed
US-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-08-15 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-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSS 264/4885CTSK 185/4885AAK1 3436/4885
US-11230571-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP CTSS 264/4885CTSK 185/4885AAK1 3436/4885

“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.