SCHEMBL4455507

SCHEMBL4455507

CN1C(=O)OC(C)(Cc2ccccc2)C1(C)n1cccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ELANE P08246 5/20 0.42
CTSG P08311 1/20 0.42
PRTN3 P24158 1/20 0.42
KMT2A Q03164 1/20 0.35
CAPN1 P07384 1/20 0.35
BACE1 P56817 1/20 0.35
NR3C2 P08235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
PTGS2 P35354 1/20 0.33
TP53 P04637 1/20 0.33
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4455509 0.72 ELANE (0.47) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL4482450 0.69 L3MBTL1 (0.45) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL16174713 0.61 ELANE (0.44) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL16174913 0.60 ELANE (0.51) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL6810670 0.60 ELANE (0.43) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL8105297 0.59 TP53 (0.41) ELANETP53
SCHEMBL19809144 0.59 OPRL1 (0.40) ELANEKMT2ATP53
SCHEMBL3318278 0.59 PIK3CD (0.51) GAAL3MBTL1ELANECTSGPRTN3
SCHEMBL11256566 0.59 ELANE (0.42) ELANECTSGPRTN3CAPN1ALDH1A1
SCHEMBL18805033 0.59 ELANE (0.42) GAAL3MBTL1ELANECTSGPRTN3

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-20090137577-A1 HETEROCYCLIC COMPOUNDS PFIZER INC. 2009-05-28 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-20090137577-A1 HETEROCYCLIC COMPOUNDS CYP2D6, ABCG2, CYP2B6 GAA 121/4885L3MBTL1 4751/4885ELANE 1155/4885

“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.