SCHEMBL21687134

SCHEMBL21687134

O=C1CC(n2sc3c(F)cccc3c2=O)C(=O)N1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MIF P14174 3/20 0.42
DDB1 Q16531 7/20 0.41
CRBN Q96SW2 7/20 0.41
IDO1 P14902 6/20 0.39
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.35
CDK4 P11802 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
SCHEMBL21687117 0.87 CRBN (0.50) MIFDDB1CRBN
SCHEMBL21687132 0.84 DDB1 (0.41) DDB1CRBNIDO1RAB9ALMNA
SCHEMBL21687130 0.79 CASP3 (0.44) DDB1CRBNIDO1MAPTRAB9A
SCHEMBL23845941 0.74 MPI (0.47) MIFDDB1CRBNIDO1MAPT
SCHEMBL21687109 0.72 CRBN (0.52) DDB1CRBN
SCHEMBL21687113 0.72 CRBN (0.50) DDB1CRBN
SCHEMBL21687111 0.69 CRBN (0.45) DDB1CRBN
SCHEMBL21687112 0.69 CRBN (0.46) DDB1CRBN
SCHEMBL21687108 0.68 CRBN (0.56) DDB1CRBN
SCHEMBL21687125 0.66 MPI (0.48) MIFDDB1CRBNIDO1TP53

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 MIF 1349/4885DDB1 4153/4885CRBN 3372/4885

“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.