SCHEMBL19216705

SCHEMBL19216705

CCOC(=O)C1(COC)CCC1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
KDM4E B2RXH2 3/20 0.37
POLB P06746 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.36
ATM Q13315 1/20 0.36
ALDH1A1 P00352 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
GAA P10253 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
SCHEMBL1691121 0.96 MAPK1 (0.40) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL23135868 0.94 MAPK1 (0.39) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL16900591 0.92 MAPK1 (0.41) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL19216523 0.86 SMN1; SMN2 (0.37) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL15106626 0.84 MAPK1 (0.37) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL13269316 0.84 OPRM1 (0.48) MAPK1KMT2AMEN1KDM4EPOLB
SCHEMBL19601350 0.84 MAPK1 (0.37) SMN1; SMN2MAPK1KMT2AMEN1KDM4E
SCHEMBL23135867 0.84 TSHR (0.43) MAPK1KMT2AMEN1KDM4EPOLB
SCHEMBL25477600 0.84 CYP4F2 (0.39) CYP4F2CYP4A11
SCHEMBL12597835 0.83 SMN1; SMN2 (0.40) SMN1; SMN2MAPK1KMT2AMEN1KDM4E

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 4 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
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
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 2777/4885MAPK1 942/4885KMT2A 202/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B SMN1; SMN2 2777/4885MAPK1 942/4885KMT2A 202/4885

“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.