SCHEMBL22502813

SCHEMBL22502813

CN[C@@H](CC(C)(C)F)C(=O)O[C@H](C)C(=O)CCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ FAAH O00519 3/20 0.37
▸ CES1 P23141 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ OPRK1 P41145 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ ADRB3 P13945 1/20 0.37
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ HDAC3 O15379 1/20 0.36
▸ HDAC4 P56524 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC7 Q8WUI4 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ HDAC10 Q969S8 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
SCHEMBL18256483 0.83 CTSS (0.42) ALDH1A1LMNA
SCHEMBL23279562 0.75 CTSS (0.38) —
SCHEMBL18248047 0.74 CTSS (0.50) ALDH1A1LMNA
SCHEMBL18256500 0.74 CTSS (0.50) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL31560870 0.73 CTSS (0.49) ALDH1A1LMNA
Hydrochloric Acid SCHEMBL23269876 0.73 CTSS (0.49) ALDH1A1LMNA
SCHEMBL22651656 0.73 CTSS (0.39) ALDH1A1LMNA
SCHEMBL29540944 0.71 SCN9A (0.32) —
SCHEMBL21447894 0.71 SCN9A (0.42) FAAH
SCHEMBL8291549 0.70 TSHR (0.48) ALDH1A1LMNAPOLB

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-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 — — 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-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP TDP1 1835/4885HPGD 2900/4885FAAH 215/4885

“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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