SCHEMBL21687119

SCHEMBL21687119

O=C1CCC(n2sc3cc(Cl)ccc3c2=O)C(=O)N1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 19/20 0.48
DDB1 Q16531 12/20 0.48
ALDH1A1 P00352 1/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
IKZF3 Q9UKT9 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL21687118 0.85 CRBN (0.52) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687108 0.82 CRBN (0.56) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687116 0.78 CRBN (0.52) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687121 0.77 CRBN (0.40) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687114 0.75 MPI (0.49) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL23845941 0.72 MPI (0.47) CRBNDDB1ALDH1A1TDP1
SCHEMBL21751104 0.71 CRBN (0.54) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687110 0.70 CRBN (0.53) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687117 0.70 CRBN (0.50) CRBNDDB1ALDH1A1CHRM2OPRM1
SCHEMBL21687113 0.70 CRBN (0.50) CRBNDDB1ALDH1A1CHRM2OPRM1

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 4153/4885ALDH1A1 411/4885

“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.