SCHEMBL21635546

SCHEMBL21635546

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCAT1 P54687 17/20 0.41
BCAT2 O15382 15/20 0.41
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
ITGB1 P05556 1/20 0.31
ITGA4 P13612 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL23698930 0.91 BCAT1 (0.46) BCAT1BCAT2CA1CA2ALDH1A1
SCHEMBL29692316 0.88 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL30678042 0.88 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL21635543 0.88 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL27307569 0.88 BCAT1 (0.42) BCAT1BCAT2ALDH1A1
SCHEMBL28359249 0.86 BCAT1 (0.39) BCAT1BCAT2
SCHEMBL21816909 0.84 BCAT1 (0.40) BCAT1BCAT2
Hydrochloric Acid SCHEMBL28368881 0.83 CA1 (0.33) CA1CA2ITGB1ITGA4
SCHEMBL21653880 0.83 BCAT1 (0.40) BCAT1BCAT2
SCHEMBL21635539 0.83 BCAT1 (0.42) BCAT1BCAT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2976/4885CA1 3124/4885

“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.