SCHEMBL19216686

SCHEMBL19216686

CCOC(=O)C1(OC)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
ADORA1 P30542 1/20 0.39
HPGD P15428 1/20 0.38
TSHR P16473 2/20 0.38
EPHX2 P34913 1/20 0.38
ALOX15 P16050 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.37
HTT P42858 1/20 0.37
PKM P14618 1/20 0.37
RECQL P46063 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
SCHEMBL27557913 0.88 SMN1; SMN2 (0.44) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL21749177 0.85 HPGD (0.40) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL2206945 0.85 SMN1; SMN2 (0.46) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL31566504 0.85 USP2 (0.41) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL5896147 0.84 USP2 (0.49) SMN1; SMN2USP2HPGDTSHREPHX2
SCHEMBL1147479 0.84 SMN1; SMN2 (0.45) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL442966 0.84 SMN1; SMN2 (0.45) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL19216685 0.83 USP2 (0.40) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL25737087 0.83 USP2 (0.42) SMN1; SMN2USP2L3MBTL1ADORA1HPGD
SCHEMBL606159 0.83 USP2 (0.42) SMN1; SMN2USP2L3MBTL1ADORA1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106795146-B Isoxazole derivatives as inhibitors of mutant isocitrate dehydrogenase 1 第一三共株式会社 2020-06-26 CN disclosed
EP-3202766-B1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO CO LTD (JP) 2019-12-25 EP disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor DAIICHI SANKYO COMPANY, LIMITED (JP) 2018-08-07 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
US-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-11-02 US disclosed
EP-3202766-A1 ISOXAZOLE DERIVATIVE AS MUTATED ISOCITRATE DEHYDROGENASE 1 INHIBITOR DAIICHI SANKYO COMPANY, LIMITED (JP) 2017-08-09 EP 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 (2 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-20170313696-A1 ISOXAZOLE DERIVATIVE AS MUTANT ISOCITRATE DEHYDROGENASE 1 INHIBITOR IDH1, IDH3A, IDH3B SMN1; SMN2 2777/4885USP2 2181/4885L3MBTL1 1403/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B SMN1; SMN2 2777/4885USP2 2181/4885L3MBTL1 1403/4885

“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.