SCHEMBL21447929

SCHEMBL21447929

CN(C(=O)OC(C)(C)C)[C@@H](CC(C)(C)C)C(=O)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 1/20 0.37
▸ AAK1 Q2M2I8 2/20 0.34
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC6 Q9UBN7 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
SCHEMBL68033 0.86 MMP13 (0.38) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL68034 0.86 MMP13 (0.38) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL24297646 0.80 AAK1 (0.37) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL8242646 0.79 AAK1 (0.39) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL21447769 0.77 AAK1 (0.34) MMP13AAK1
SCHEMBL30884895 0.75 MMP13 (0.32) MMP13HDAC1HDAC2HDAC6
SCHEMBL20586574 0.75 MMP13 (0.38) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL18248156 0.75 MMP13 (0.38) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL22651558 0.75 MMP13 (0.38) MMP13AAK1HDAC1HDAC2HDAC6
SCHEMBL626316 0.74 AAK1 (0.39) MMP13AAK1HDAC1HDAC2HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 — — US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 — — 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-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 MMP13 1446/4885AAK1 3576/4885HDAC1 1473/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 MMP13 1446/4885AAK1 3576/4885HDAC1 1473/4885

“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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