SCHEMBL21447888

SCHEMBL21447888

C[C@@H](OC(=O)[C@H](CCc1ccc(-c2ccccc2)cc1)N(C)C(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP12 P39900 4/20 0.39
▸ CTSS P25774 2/20 0.37
▸ CTSK P43235 2/20 0.37
▸ CTSL P07711 1/20 0.37
▸ CTSB P07858 1/20 0.37
▸ MMP13 P45452 2/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ MMP14 P50281 1/20 0.36
▸ MME P08473 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ REN P00797 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL21447959 0.91 POLB (0.37) CTSSCTSKCTSLCTSBMMP13
SCHEMBL18248108 0.91 ALDH1A1 (0.41) CTSSCTSKMMEREN
SCHEMBL18256484 0.91 ALDH1A1 (0.41) CTSSCTSKMMEREN
SCHEMBL22651717 0.88 CTSK (0.41) CTSSCTSKCTSLCTSBMMP13
SCHEMBL18256528 0.88 SYK (0.40) CTSSCTSKCTSLCTSBMMP13
SCHEMBL18248075 0.88 SYK (0.40) CTSSCTSKCTSLCTSBMMP13
SCHEMBL22502801 0.85 CTSK (0.38) CTSSCTSKCTSLCTSBMMP13
SCHEMBL23269885 0.84 MMP13 (0.39) CTSSCTSKCTSLCTSBMMP13
SCHEMBL18248083 0.84 CTSK (0.46) CTSSCTSKCTSLCTSBMMP13
SCHEMBL21447763 0.84 CTSK (0.46) CTSSCTSKCTSLCTSBMMP13

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 MMP12 1328/4885CTSS 548/4885CTSK 1247/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 MMP12 1328/4885CTSS 548/4885CTSK 1247/4885

“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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