SCHEMBL20166237

SCHEMBL20166237

CNC(CC(C)(C)F)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.36
GRN P28799 2/20 0.33
SORT1 Q99523 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
THRB P10828 1/20 0.33
ALOX15 P16050 1/20 0.33
NFKB1 P19838 1/20 0.33
PTGS2 P35354 1/20 0.33
THPO P40225 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FOLH1 Q04609 2/20 0.32
NAALAD2 Q9Y3Q0 2/20 0.32
ALDH1A1 P00352 2/20 0.32
ACE P12821 3/20 0.32
MME P08473 2/20 0.32
ACE2 Q9BYF1 2/20 0.32
CPA1 P15085 1/20 0.32

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
SCHEMBL18248048 1.00 CTSL (0.36) CTSLGRNSORT1KDM4EMAPT
SCHEMBL20166234 1.00 CTSL (0.36) CTSLGRNSORT1KDM4EMAPT
Hydrochloric Acid SCHEMBL20166214 0.98 CTSL (0.35) CTSLGRNSORT1KDM4EMAPT
Hydrochloric Acid SCHEMBL20166215 0.98 CTSL (0.35) CTSLGRNSORT1KDM4EMAPT
Hydrochloric Acid SCHEMBL20166212 0.96 CTSL (0.35) CTSLGRNSORT1KDM4EMAPT
Bromide SCHEMBL347137 0.85 GRN (0.33) GRNSORT1KDM4EMAPTTHRB
Hydrochloric Acid SCHEMBL345244 0.85 GRN (0.33) GRNSORT1KDM4EMAPTTHRB
SCHEMBL16056904 0.84 KDM4E (0.34) GRNSORT1KDM4EMAPTTHRB
SCHEMBL25635519 0.83 GRN (0.32) GRNSORT1KDM4EMAPTTHRB
Bromide SCHEMBL16057768 0.83 KDM4E (0.33) GRNSORT1KDM4EMAPTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114891070-A Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-08-12 CN disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
CN-107835818-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN disclosed
CN-108699052-B Anthelmintic depsipeptide compounds 勃林格殷格翰动物保健美国公司 2022-04-29 CN 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 CTSL 480/4885GRN 3570/4885SORT1 2594/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 CTSL 480/4885GRN 3570/4885SORT1 2594/4885

“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.