SCHEMBL21266580

SCHEMBL21266580

CC(C)COC(=O)[C@H](N)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRB2 P62993 1/20 0.48
PTPN1 P18031 2/20 0.45
GAA P10253 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H3 Q13133 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DPP4 P27487 3/20 0.44
FAP Q12884 2/20 0.44
DPP8 Q6V1X1 2/20 0.44
DPP9 Q86TI2 2/20 0.44
DPP7 Q9UHL4 1/20 0.44
PPARG P37231 3/20 0.42
EPHX2 P34913 1/20 0.42
MAOB P27338 1/20 0.42
PPARA Q07869 2/20 0.41
TPH1 P17752 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 1/20 0.40

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
SCHEMBL10181180 0.85 PPARG (0.55) GRB2PTPN1DPP4FAPDPP8
SCHEMBL10179224 0.85 PPARG (0.55) GRB2PTPN1DPP4FAPDPP8
SCHEMBL3746455 0.84 GRB2 (0.51) GRB2PTPN1DPP4FAPDPP8
SCHEMBL5367325 0.84 GRB2 (0.51) GRB2PTPN1DPP4FAPDPP8
SCHEMBL3746453 0.84 GRB2 (0.51) GRB2PTPN1DPP4FAPDPP8
Hydrochloric Acid SCHEMBL31407702 0.82 GRB2 (0.50) GRB2PTPN1DPP4FAPDPP8
Hydrochloric Acid SCHEMBL3993099 0.82 GRB2 (0.50) GRB2PTPN1DPP4FAPDPP8
Hydrochloric Acid SCHEMBL27472608 0.82 GRB2 (0.50) GRB2PTPN1DPP4FAPDPP8
Hydrochloric Acid SCHEMBL5367319 0.82 GRB2 (0.50) GRB2PTPN1DPP4FAPDPP8
SCHEMBL10564272 0.81 GRB2 (0.49) GRB2PTPN1DPP4FAPDPP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-08-15 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 (3 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-20190248840-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP GRB2 4868/4885PTPN1 2893/4885GAA 2706/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP GRB2 4869/4885PTPN1 2717/4885GAA 2604/4885
US-11230571-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP GRB2 4868/4885PTPN1 2893/4885GAA 2706/4885

“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.