SCHEMBL3589494

SCHEMBL3589494

Cc1cn(C)c(=O)n1CC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 1/20 0.43
PLA2G10 O15496 2/20 0.36
PLA2G5 P39877 2/20 0.36
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
KMT2A Q03164 1/20 0.34
CACNA1B Q00975 1/20 0.34
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 1/20 0.33
PLA2G7 Q13093 1/20 0.33
HDAC6 Q9UBN7 2/20 0.32
GAA P10253 2/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
F2 P00734 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PSEN1 P49768 1/20 0.31

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
SCHEMBL20967569 0.77 ALDH1A1 (0.49) ALDH1A1KDM4EPLA2G10PLA2G5GSK3A
SCHEMBL3591122 0.76 APEX1 (0.44) ALDH1A1KDM4EGAAL3MBTL1POLB
SCHEMBL3582007 0.76 ALDH1A1 (0.39) ALDH1A1KDM4EPLA2G10PLA2G5GSK3A
SCHEMBL18171779 0.71 ALDH1A1 (0.64) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL3593243 0.71 HDAC6 (0.40) ALDH1A1KDM4EPLA2G10PLA2G5KMT2A
SCHEMBL3587945 0.70 ALDH1A1 (0.50) ALDH1A1KDM4EKMT2ACACNA1BJAK2
SCHEMBL3571941 0.70 ALDH1A1 (0.56) ALDH1A1KDM4EKMT2AGAATSHR
SCHEMBL4417899 0.70 KDM4E (0.44) ALDH1A1KDM4EPLA2G10PLA2G5KMT2A
SCHEMBL24774078 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EPLA2G10PLA2G5GSK3A
SCHEMBL8177614 0.69 KDM4E (0.43) ALDH1A1KDM4EPLA2G10PLA2G5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 ALDH1A1 971/4885KDM4E 3447/4885PLA2G10 2197/4885

“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.