SCHEMBL24298082

SCHEMBL24298082

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 3/20 0.35
▸ MMP13 P45452 1/20 0.34
▸ CA14 Q9ULX7 3/20 0.34
▸ CTSK P43235 3/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA12 O43570 2/20 0.31
▸ ADORA1 P30542 1/20 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
SCHEMBL30916078 0.93 AAK1 (0.36) AAK1MMP13CA14CTSKCA1
SCHEMBL30916082 0.91 AAK1 (0.35) AAK1MMP13CA14CTSKCA1
SCHEMBL21447817 0.87 AAK1 (0.35) AAK1MMP13CA14CA1CA2
SCHEMBL30916093 0.86 AAK1 (0.33) AAK1MMP13CA14CTSK
SCHEMBL18248194 0.85 AAK1 (0.36) AAK1MMP13CA14CTSKCA1
SCHEMBL18248195 0.85 AAK1 (0.36) AAK1MMP13CA14CTSKCA1
SCHEMBL19245050 0.85 MMP13 (0.36) AAK1MMP13CA14CTSK
SCHEMBL20309981 0.83 CA1 (0.40) AAK1MMP13CA14CTSKCA1
SCHEMBL30916053 0.82 AAK1 (0.41) AAK1MMP13
SCHEMBL7333433 0.82 AAK1 (0.41) AAK1MMP13CA14CA1CA2

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-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 — — US 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 AAK1 3150/4885MMP13 434/4885CA14 1962/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP AAK1 3436/4885MMP13 440/4885CA14 1978/4885

“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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