SCHEMBL438514

SCHEMBL438514

CC(C)c1nnc(C2CCC(NC(=O)OC(C)(C)C)CC2)o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 2/20 0.47
CTSK P43235 3/20 0.43
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
TYK2 P29597 1/20 0.41
JAK3 P52333 1/20 0.41
GAA P10253 2/20 0.40
KMT2A Q03164 1/20 0.40
KDM1A O60341 1/20 0.40
MAOB P27338 1/20 0.40
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BTK Q06187 2/20 0.39
DRD2 P14416 2/20 0.36
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL438515 1.00 LIPG (0.47) LIPGCTSKJAK2JAK1TYK2
SCHEMBL29518900 0.89 LIPG (0.47) LIPGCTSKJAK2JAK1TYK2
SCHEMBL21707305 0.89 LIPG (0.47) LIPGCTSKJAK2JAK1TYK2
SCHEMBL21733956 0.84 LIPG (0.49) LIPGCTSKJAK2JAK1TYK2
SCHEMBL30216265 0.84 LIPG (0.49) LIPGCTSKJAK2JAK1TYK2
SCHEMBL1909841 0.82 LIPG (0.48) LIPGCTSKJAK2JAK1TYK2
SCHEMBL29988255 0.82 LIPG (0.47) LIPGCTSKJAK2JAK1TYK2
SCHEMBL29988073 0.81 LIPG (0.47) LIPGCTSKJAK2JAK1TYK2
SCHEMBL443223 0.80 KMT2A (0.43) CTSKKMT2ATSHRHSD17B10ALDH1A1
SCHEMBL443224 0.80 KMT2A (0.43) CTSKKMT2ATSHRHSD17B10ALDH1A1

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT LIPG 289/4885CTSK 3044/4885JAK2 4304/4885

“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.