SCHEMBL21635543

SCHEMBL21635543

CCOC(=O)C1(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 7)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.42
BCAT2 O15382 15/20 0.42
TSHR P16473 2/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPT P10636 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL27307569 1.00 BCAT1 (0.42) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL29692316 1.00 BCAT1 (0.42) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL30678042 1.00 BCAT1 (0.42) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL23698930 0.91 BCAT1 (0.46) BCAT1BCAT2HSD17B10ALDH1A1TDP1
SCHEMBL26041114 0.90 HSD17B10 (0.37) TSHRHSD17B10MAPTALDH1A1TDP1
SCHEMBL21635546 0.88 BCAT1 (0.41) BCAT1BCAT2ALDH1A1
SCHEMBL25061754 0.88 BCAT1 (0.38) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL21653880 0.86 BCAT1 (0.40) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL21816909 0.85 BCAT1 (0.40) BCAT1BCAT2TSHRHSD17B10MAPT
SCHEMBL21653745 0.84 CA1 (0.31)

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 14 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
CN-113880774-B Preparation method of phenyl isoxazoline compound 沈阳中化农药化工研发有限公司 2023-12-08 CN disclosed
US-20230303545-A1 PREPARATION METHOD OF PHENYLISOXAZOLINE COMPOUND SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-09-28 US disclosed
US-20230265084-A1 METHOD FOR PREPARING INTERMEDIATE OF URACIL COMPOUND CONTAINING ISOXAZOLINE SHENYANG SINOCHEM AGROCHEMICALS R&D CO., LTD. (CN) 2023-08-24 US disclosed
EP-4177251-A1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND INTERMEDIATES Shenyang Sinochem Agrochemicals R & D Co., Ltd. (CN) 2023-05-10 EP disclosed
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
WO-2022002117-A1 METHOD FOR PREPARING ISOXAZOLINE-CONTAINING URACIL COMPOUND INTERMEDIATES 沈阳中化农药化工研发有限公司 2022-01-06 WO disclosed
CN-113880774-A Preparation method of phenyl isoxazoline compound 沈阳中化农药化工研发有限公司 2022-01-04 CN 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
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
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
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 (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-20230265084-A1 METHOD FOR PREPARING INTERMEDIATE OF URACIL COMPOUND CONTAINING ISOXAZOLINE UNG, IMPDH1, PNP BCAT1 290/4885BCAT2 457/4885TSHR 628/4885
US-20230303545-A1 PREPARATION METHOD OF PHENYLISOXAZOLINE COMPOUND UMPS, UGT1A7, UGT2B7 BCAT1 1141/4885BCAT2 830/4885TSHR 2604/4885
US-10550111-B2 Pyrimidine urea compound containing isoxazolines and use thereof DDX6, OAT, DHX36 BCAT1 2789/4885BCAT2 2976/4885TSHR 4467/4885

“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.