SCHEMBL21653845

SCHEMBL21653845

CC(=O)OCC1(C)CC(c2cc(-n3c(=O)cc(C(F)(F)F)[nH]c3=O)ccc2Cl)=NO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 14/20 0.38
BCAT2 O15382 12/20 0.38
MAPT P10636 3/20 0.35
HSD17B10 Q99714 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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 0.86 BCAT1 (0.40) BCAT1BCAT2MAPTHSD17B10TSHR
SCHEMBL28425958 0.86 BCAT1 (0.36) BCAT1BCAT2MAPTSMN1; SMN2TSHR
SCHEMBL21653846 0.84
SCHEMBL28425956 0.82 BCAT2 (0.36) BCAT1BCAT2
SCHEMBL26041116 0.76 TSHR (0.35) MAPTHSD17B10SMN1; SMN2TSHRALDH1A1
SCHEMBL21635539 0.74 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10TSHR
SCHEMBL29692736 0.73 BCAT1 (0.41) BCAT1BCAT2HSD17B10SMN1; SMN2TSHR
SCHEMBL28359249 0.73 BCAT1 (0.39) BCAT1BCAT2MAPTHSD17B10TSHR
SCHEMBL21635543 0.72 BCAT1 (0.42) BCAT1BCAT2MAPTHSD17B10TSHR
SCHEMBL21653879 0.72

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
EP-3858829-B1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND BY METHYLATION SHENYANG SINOCHEM AGROCHEMICALS R & D CO LTD (CN) 2024-05-01 EP disclosed
EP-3858829-A1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND BY METHYLATION Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2021-08-04 EP 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.