SCHEMBL19216726

SCHEMBL19216726

CC(C)(C)OC(=O)/C=C1\CCc2cn(C(=O)C(C)(C)C)c3cccc1c23

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
IDH1 O75874 17/20 0.44
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ACHE P22303 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32

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
SCHEMBL19216562 0.81 IDH1 (0.46) IDH1
SCHEMBL19216725 0.78 TYMS (0.40) IDH1MEN1KMT2A
SCHEMBL19216639 0.75 PARP1 (0.43) MEN1KMT2A
SCHEMBL19216786 0.70 IDH1 (0.64) IDH1
SCHEMBL26100931 0.69 PRKCD (0.33) IDH1MEN1KMT2AACHEBRD4
SCHEMBL19540793 0.68 IDH1 (0.48) IDH1MEN1KMT2A
SCHEMBL12750350 0.67 BRD4 (0.44) ACHEBRD4CREBBP
SCHEMBL19216845 0.65 HTR1B (0.46) IDH1
SCHEMBL19540794 0.65 IDH1 (0.48) IDH1MEN1KMT2A
SCHEMBL19216679 0.65 IDH1 (0.47) IDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 IDH1 1/4885MEN1 824/4885KMT2A 202/4885
US-10040791-B2 Isoxazole derivative as mutant isocitrate dehydrogenase 1 inhibitor IDH1, IDH3A, IDH3B IDH1 1/4885MEN1 824/4885KMT2A 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.