SCHEMBL2239745

SCHEMBL2239745

CCOC(=O)C[C@@]1(C(C)(C)C)CC[C@@H](NC(C)C)CN1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CASP6 P55212 1/20 0.32
KDM4E B2RXH2 2/20 0.31
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
POLB P06746 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
SCHEMBL17686382 0.81 KDM4E (0.37) L3MBTL1KDM4EGAA
SCHEMBL2244928 0.68 THRB (0.35) THRBATML3MBTL1CASP6KDM4E
SCHEMBL2241744 0.68 THRB (0.35) THRBATML3MBTL1CASP6KDM4E
SCHEMBL28527648 0.67 CYP3A4 (0.32)
SCHEMBL28525796 0.67 CYP3A4 (0.32)
SCHEMBL2239739 0.64 MEN1 (0.38) THRBATML3MBTL1CASP6KDM4E
SCHEMBL12353791 0.62 MGAM (0.39) THRBATML3MBTL1CASP6GAA
SCHEMBL17872979 0.62 MGAM (0.39) THRBATML3MBTL1CASP6GAA
SCHEMBL21997173 0.62 GAA (0.35) L3MBTL1GAATSHRPOLB
SCHEMBL9774617 0.62 THRB (0.69) THRBATML3MBTL1CASP6KDM4E

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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE DAINIPPON SUMITOMO PHARMA CO. 2011-08-04 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-20110190278-A1 BICYCLIC HETEROCYCLIC DERIVATIVE REN, AGTR1, AGTR2 THRB 456/4885ATM 4606/4885L3MBTL1 3310/4885

“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.