SCHEMBL21635539

SCHEMBL21635539

COC(=O)CC1(C)CC(c2cc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)c(F)cc2Cl)=NO1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 19/20 0.42
BCAT2 O15382 17/20 0.42
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL21653880 0.87 BCAT1 (0.40) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL28359249 0.86 BCAT1 (0.39) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL23698930 0.86 BCAT1 (0.46) BCAT1BCAT2HSD17B10
SCHEMBL21816909 0.85 BCAT1 (0.40) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL21635543 0.84 BCAT1 (0.42) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL30678042 0.84 BCAT1 (0.42) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL29692316 0.84 BCAT1 (0.42) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL27307569 0.84 BCAT1 (0.42) BCAT1BCAT2MAPTTSHRHSD17B10
SCHEMBL21635546 0.83 BCAT1 (0.41) BCAT1BCAT2
SCHEMBL25061754 0.80 BCAT1 (0.38) BCAT1BCAT2MAPTTSHRHSD17B10

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
CN-110964001-B Method for preparing isoxazoline-containing uracil compound through methylation 沈阳中化农药化工研发有限公司 2022-07-22 CN disclosed
CN-105753853-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-08-04 CN disclosed
CN-110964001-A Method for preparing isoxazoline-containing uracil compounds through methylation 沈阳中化农药化工研发有限公司 2020-04-07 CN disclosed
WO-2020063613-A1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND BY METHYLATION 沈阳中化农药化工研发有限公司 2020-04-02 WO disclosed
CN-106536517-B Isoxazoline-containing uracil compound and application thereof 沈阳中化农药化工研发有限公司 2020-03-17 CN disclosed
US-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2020-02-04 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 (1 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-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof DDX6, OAT, DHX36 BCAT1 2789/4885BCAT2 2976/4885MAPT 1284/4885

“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.