SCHEMBL20166246

SCHEMBL20166246

CCOC(=O)C(CC(C)(C)F)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NFKB1 P19838 1/20 0.35
▸ NFKB2 Q00653 1/20 0.35
▸ RELA Q04206 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.33
▸ MMP13 P45452 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ ADORA1 P30542 1/20 0.32
▸ CA14 Q9ULX7 1/20 0.32
▸ HDAC6 Q9UBN7 2/20 0.32
▸ HDAC1 Q13547 1/20 0.32
▸ HDAC2 Q92769 1/20 0.32
▸ LMNA P02545 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
SCHEMBL18248195 0.86 AAK1 (0.36) AAK1MMP13CA14
SCHEMBL18248194 0.86 AAK1 (0.36) AAK1MMP13CA14
SCHEMBL19088621 0.84 AAK1 (0.34) AAK1MMP13HTTCA14LMNA
SCHEMBL24093734 0.83 AAK1 (0.33) AAK1MMP13
SCHEMBL18248055 0.83 MMP13 (0.37) AAK1MMP13CA14HDAC6HDAC1
SCHEMBL18248003 0.83 MMP13 (0.37) AAK1MMP13CA14HDAC6HDAC1
SCHEMBL19088491 0.83 AAK1 (0.34) AAK1MMP13CA14HDAC6HDAC1
SCHEMBL21447962 0.82 CA14 (0.32) AAK1MMP13CA14
SCHEMBL26034208 0.81 AAK1 (0.33) AAK1MMP13CA14
SCHEMBL13560955 0.80 AAK1 (0.46) NFKB1NFKB2RELAAAK1MMP13

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 6 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-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
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 — — US disclosed
EP-3541789-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-09-25 — — EP disclosed
WO-2018093920-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS MERIAL, INC. (US) 2018-05-24 — — 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-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 NFKB1 3896/4885NFKB2 2838/4885RELA 3413/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 NFKB1 3896/4885NFKB2 2838/4885RELA 3413/4885

“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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