SCHEMBL22651656

SCHEMBL22651656

CN[C@@H](CCC(C)(C)F)C(=O)O[C@H](C)C(=O)OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 4/20 0.39
▸ CTSL P07711 3/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ CTSK P43235 5/20 0.38
▸ CTSB P07858 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ ATM Q13315 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
SCHEMBL22651659 0.91 PPARA (0.41) CTSSCTSLALDH1A1PPARACTSK
SCHEMBL18256483 0.89 CTSS (0.42) CTSSCTSLMEN1KMT2AALDH1A1
SCHEMBL21266672 0.84 CTSK (0.43) CTSSCTSLALDH1A1CTSKCTSB
SCHEMBL18256500 0.83 CTSS (0.50) CTSSCTSLALDH1A1PPARACTSK
SCHEMBL18248047 0.83 CTSS (0.50) CTSSCTSLALDH1A1PPARACTSK
SCHEMBL21266681 0.82 CTSK (0.42) CTSSCTSLALDH1A1CTSKCTSB
Hydrochloric Acid SCHEMBL23269876 0.82 CTSS (0.49) CTSSCTSLALDH1A1PPARACTSK
Hydrochloric Acid SCHEMBL31560870 0.82 CTSS (0.49) CTSSCTSLALDH1A1PPARACTSK
SCHEMBL23269880 0.80 CTSK (0.53) CTSSCTSLCTSKCTSB
SCHEMBL18248005 0.80 CTSK (0.53) CTSSCTSLCTSKCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 — — 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 (1 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-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CTSS 245/4885CTSL 86/4885MEN1 1902/4885

“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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