SCHEMBL19216685

SCHEMBL19216685

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

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
EPHX2 P34913 1/20 0.38
EPHX1 P07099 1/20 0.36
KMT2A Q03164 2/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
ADORA1 P30542 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX15 P16050 2/20 0.35
TSHR P16473 2/20 0.35
ATM Q13315 1/20 0.35
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL19216522 0.85 USP2 (0.41) USP2SMN1; SMN2EPHX2EPHX1KMT2A
SCHEMBL19216526 0.85 USP2 (0.38) USP2SMN1; SMN2EPHX2EPHX1KMT2A
SCHEMBL20011966 0.84 USP2 (0.40) USP2SMN1; SMN2EPHX2EPHX1KMT2A
SCHEMBL5896049 0.84 USP2 (0.42) USP2SMN1; SMN2EPHX2EPHX1DDB1
SCHEMBL19216686 0.83 SMN1; SMN2 (0.44) USP2SMN1; SMN2EPHX2ADORA1L3MBTL1
SCHEMBL16492241 0.80 GAA (0.52) KMT2AMGAMGAASIMGAM2
SCHEMBL30184251 0.78 ALOX15 (0.49) USP2SMN1; SMN2EPHX1KMT2AALOX15
SCHEMBL20423533 0.78 PKM (0.45) USP2SMN1; SMN2EPHX2EPHX1ADORA1
SCHEMBL3494375 0.78 SMN1; SMN2 (0.47) USP2SMN1; SMN2EPHX2EPHX1KMT2A
SCHEMBL224850 0.77 ALDH1A1 (0.50) USP2SMN1; SMN2EPHX2EPHX1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 USP2 2181/4885SMN1; SMN2 2777/4885EPHX2 2839/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B USP2 2181/4885SMN1; SMN2 2777/4885EPHX2 2839/4885

“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.