SCHEMBL17887331

SCHEMBL17887331

CN(C)/C=C1\C(=O)CC(C)(C)OC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAP1LC3B Q9GZQ8 6/20 0.37
ALDH1A1 P00352 8/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HTT P42858 2/20 0.36
HIF1A Q16665 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
THRB P10828 1/20 0.36
CRHBP P24387 2/20 0.33
CRHR2 Q13324 2/20 0.33
KDM4E B2RXH2 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.31
POLB P06746 1/20 0.31
HPGD P15428 1/20 0.30
PKM P14618 1/20 0.30
LMNA P02545 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL3072328 0.76 ALDH1A1 (0.47) MAPTMAP1LC3BALDH1A1SMN1; SMN2HTT
SCHEMBL2575397 0.74 ALDH1A1 (0.47) MAPTGAANPSR1MAP1LC3BALDH1A1
SCHEMBL16146464 0.73
SCHEMBL8407001 0.71 ALDH1A1 (0.39) MAPTGAANPSR1MAP1LC3BALDH1A1
SCHEMBL6837246 0.68 MAPT (0.41) MAPTGAANPSR1MAP1LC3BALDH1A1
SCHEMBL30255231 0.67 MAPT (0.35) MAPTGAANPSR1ALDH1A1SMN1; SMN2
SCHEMBL9889200 0.66
SCHEMBL9892466 0.66 MEN1 (0.36) GAAMEN1KMT2ATHRB
SCHEMBL2574121 0.64 MAPT (0.36) MAPTGAANPSR1MAP1LC3BALDH1A1
SCHEMBL2574122 0.64 MAPT (0.36) MAPTGAANPSR1MAP1LC3BALDH1A1

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
EP-3237385-B1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER US HEALTH (US) 2021-11-24 EP disclosed
US-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2020-11-17 US disclosed
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL 2019-08-08 US disclosed
WO-2016106331-A1 MUTANT IDH1 INHIBITORS USEFUL FOR TREATING CANCER THE UNITED STATES OF AMERICA (US) 2016-06-30 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 (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-10836759-B2 Thiazole derivatives useful as mutant IDH1 inhibitors for treating cancer IDH1, IDH2, IDH3B MAPT 3875/4885GAA 4210/4885NPSR1 4675/4885
US-20190241551-A1 THIAZOLE DERIVATIVES USEFUL AS MUTANT IDH1 INHIBITORS FOR TREATING CANCER IDH1, IDH2, IDH3B MAPT 3875/4885GAA 4210/4885NPSR1 4675/4885

“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.