SCHEMBL21687121

SCHEMBL21687121

COc1cc2sn(C3CCC(=O)NC3=O)c(=O)c2cc1OC

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 17/20 0.40
DDB1 Q16531 12/20 0.40
MPI P34949 1/20 0.40
ALDH1A1 P00352 1/20 0.37
CHRM2 P08172 1/20 0.37
OPRM1 P35372 1/20 0.37
IKZF3 Q9UKT9 1/20 0.37
CYP1A2 P05177 1/20 0.37
TSHR P16473 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAOA P21397 1/20 0.37

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
SCHEMBL21687114 0.83 MPI (0.49) CRBNDDB1MPIALDH1A1CHRM2
SCHEMBL21687135 0.82 CRBN (0.37) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687112 0.79 CRBN (0.46) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687116 0.77 CRBN (0.52) CRBNDDB1MPIALDH1A1CHRM2
SCHEMBL21687118 0.77 CRBN (0.52) CRBNDDB1MPIALDH1A1CHRM2
SCHEMBL21687119 0.77 CRBN (0.48) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687108 0.76 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL14142449 0.71 CRBN (0.65) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687125 0.71 MPI (0.48) CRBNDDB1MPIALDH1A1TSHR
SCHEMBL21687127 0.71 MPI (0.60) CRBNDDB1MPITSHRMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF SHANGHAI XINGYE PHARMACEUTICAL TECHNOLOGY CO., LTD (CN) 2021-09-23 US disclosed
WO-2020020099-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF 上海星叶医药科技有限公司 2020-01-30 WO 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-20210292315-A1 SELENIUM-CONTAINING ISOXAZOLAMINE COMPOUND, PREPARATION METHOD THEREFOR, AND USE THEREOF AIFM2, GPX1, AIFM1 CRBN 3372/4885DDB1 4153/4885MPI 3496/4885

“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.