SCHEMBL21159845

SCHEMBL21159845

O=C(OCc1ccccc1)[C@H](O)CCc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.52
FFAR1 O14842 2/20 0.48
FFAR4 Q5NUL3 2/20 0.48
LTA4H P09960 2/20 0.46
EPHX2 P34913 2/20 0.46
MMP12 P39900 1/20 0.45
EPHX1 P07099 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
LAP3 P28838 1/20 0.43
FPR2 P25090 1/20 0.43
SERPINE1 P05121 1/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
FAAH O00519 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
PLA2G4A P47712 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41

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
SCHEMBL18256348 0.87 LTA4H (0.51) SCN9AFFAR1FFAR4LTA4HEPHX2
SCHEMBL5014406 0.85 ALDH1A1 (0.52) LTA4HMMP12LAP3SLC6A2SLC6A3
SCHEMBL7373327 0.85 ALDH1A1 (0.52) LTA4HMMP12LAP3SLC6A2SLC6A3
SCHEMBL5014403 0.85 ALDH1A1 (0.52) LTA4HMMP12LAP3SLC6A2SLC6A3
SCHEMBL21447925 0.84 MGLL (0.46) FFAR1FFAR4LTA4HEPHX2MMP12
SCHEMBL21447860 0.82 PPARG (0.50) MMP12KMT2A
SCHEMBL19244969 0.82 SCN9A (0.47) SCN9AFFAR1FFAR4LTA4HEPHX2
SCHEMBL28320250 0.80 TDP1 (0.55) FFAR1FFAR4LTA4HEPHX2MRGPRX4
SCHEMBL27410029 0.80 KMT2A (0.47) FFAR1FFAR4LTA4HMMP12LAP3
SCHEMBL22502746 0.79 MMP12 (0.50) FFAR1FFAR4MMP12KMT2A

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
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
US-11230571-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-01-25 US disclosed
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 US disclosed
US-10793604-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2020-10-06 US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 US disclosed
US-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-08-15 US disclosed
US-10344056-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-07-09 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 (7 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 SCN9A 3594/4885FFAR1 4364/4885FFAR4 4324/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 SCN9A 3133/4885FFAR1 1396/4885FFAR4 2681/4885
US-10793604-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP SCN9A 3515/4885FFAR1 4467/4885FFAR4 4509/4885
US-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP SCN9A 3594/4885FFAR1 4364/4885FFAR4 4324/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 SCN9A 3133/4885FFAR1 1396/4885FFAR4 2681/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP SCN9A 3515/4885FFAR1 4467/4885FFAR4 4509/4885
US-11230571-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP SCN9A 3594/4885FFAR1 4364/4885FFAR4 4324/4885

“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.