SCHEMBL4723937

SCHEMBL4723937

CN(C)CCOC(=O)c1sc2cnccc2c1C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
NCOA1 Q15788 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RCE1 Q9Y256 1/20 0.42
NCOA3 Q9Y6Q9 1/20 0.42
MAPT P10636 2/20 0.40
RPS6KB1 P23443 1/20 0.39
CDK2 P24941 1/20 0.39
MAPKAPK2 P49137 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
BCHE P06276 1/20 0.39
CHRM2 P08172 3/20 0.36

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
SCHEMBL4722104 0.81 ALDH1A1 (0.65) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4723555 0.81 ALDH1A1 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL14572028 0.71 RPS6KB1 (0.44) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL24455393 0.70 RPS6KB1 (0.55) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL4723941 0.70 ALDH1A1 (0.34) ALDH1A1
SCHEMBL14566770 0.68 BRAF (0.60) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL31490801 0.68 CDC7 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL21874460 0.68 CDC7 (0.50) ALDH1A1KDM4EGLAGAAHPGD
SCHEMBL5623583 0.67 BRAF (0.75) BRAFMAPK1
SCHEMBL717339 0.67 ALDH1A1 (0.53) ALDH1A1KDM4EGLAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed
US-20070049603-A1 Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC. 2007-03-01 US 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 (1 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-20070049603-A1 Raf inhibitor compounds and methods of use thereof BRAF, RAF1, ARAF ALDH1A1 1842/4885KDM4E 3956/4885GLA 2371/4885

“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.