SCHEMBL21687130

SCHEMBL21687130

O=C1CC(n2sc3ccccc3c2=O)C(=O)N1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.44
G6PD P11413 3/20 0.44
RAB9A P51151 1/20 0.43
DDB1 Q16531 2/20 0.42
CRBN Q96SW2 2/20 0.42
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
PKM P14618 2/20 0.41
HPGD P15428 2/20 0.41
ALOX12 P18054 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
APOBEC3G Q9HC16 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MPI P34949 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PMM2 O15305 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
IDO1 P14902 4/20 0.40
LMNA P02545 1/20 0.38

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
SCHEMBL21687108 0.87 CRBN (0.56) DDB1CRBNALDH1A1TDP1
SCHEMBL23845941 0.82 MPI (0.47) G6PDDDB1CRBNALDH1A1MAPT
SCHEMBL21687132 0.79 DDB1 (0.41) RAB9ADDB1CRBNALDH1A1TDP1
SCHEMBL21687134 0.79 MIF (0.42) RAB9ADDB1CRBNMAPTIDO1
SCHEMBL21687127 0.79 MPI (0.60) CASP3G6PDDDB1CRBNMPI
SCHEMBL21687125 0.79 MPI (0.48) CASP3G6PDRAB9ADDB1CRBN
SCHEMBL22297084 0.76 CASP3 (0.47) CASP3G6PDRAB9AALDH1A1MAPT
SCHEMBL28457777 0.74 CASP3 (0.52) CASP3G6PDRAB9AALDH1A1MAPT
SCHEMBL30434260 0.74 CASP3 (0.52) CASP3G6PDRAB9AALDH1A1MAPT
SCHEMBL21033019 0.71 MPI (0.58) CASP3G6PDRAB9AALDH1A1MAPT

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 CASP3 96/4885G6PD 2053/4885RAB9A 3725/4885

“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.