SCHEMBL19088625

SCHEMBL19088625

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.37
▸ CA1 P00915 1/20 0.37
▸ NOS3 P29474 3/20 0.34
▸ NOS1 P29475 3/20 0.34
▸ NOS2 P35228 3/20 0.34
▸ MMP8 P22894 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CTSL P07711 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ CA14 Q9ULX7 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ NR1H2 P55055 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
SCHEMBL20166210 0.85 MMP8 (0.41) CA2CA1MMP8SMN1; SMN2KMT2A
SCHEMBL23693345 0.85 MMP8 (0.41) CA2CA1MMP8SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL30878180 0.84 NOS3 (0.34) CA2CA1NOS3NOS1NOS2
SCHEMBL20739435 0.83 CA1 (0.35) CA2CA1MMP8SMN1; SMN2CTSL
Trifluoroacetic Acid SCHEMBL30916036 0.82 PDF (0.37) CA2CA1NOS3NOS1NOS2
SCHEMBL20166237 0.79 CTSL (0.36) SMN1; SMN2CTSLKMT2AMEN1ALDH1A1
SCHEMBL18248048 0.79 CTSL (0.36) SMN1; SMN2CTSLKMT2AMEN1ALDH1A1
SCHEMBL20166234 0.79 CTSL (0.36) SMN1; SMN2CTSLKMT2AMEN1ALDH1A1
SCHEMBL8005182 0.78 CTSB (0.37) CA2CA1NOS3NOS1NOS2
SCHEMBL29540944 0.78 SCN9A (0.32) MMP8CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3397638-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2023-08-23 — — EP disclosed
EP-3298027-B1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS BOEHRINGER INGELHEIM ANIMAL HEALTH USA INC (US) 2021-04-28 — — EP disclosed
US-10344056-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-07-09 — — US disclosed
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL INC. (US) 2017-08-17 — — US disclosed
WO-2017116702-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2017-07-06 — — WO 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-10344056-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP CA2 2507/4885CA1 1656/4885NOS3 2608/4885
US-20170233438-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP CA2 2507/4885CA1 1656/4885NOS3 2608/4885

“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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