SCHEMBL13916619

SCHEMBL13916619

COC(=O)[C@H](C)N1Cc2ccccc2[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
XIAP P98170 1/20 0.40
DRD2 P14416 3/20 0.39
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SPPL2A Q8TCT8 5/20 0.37
USP2 O75604 1/20 0.37
NAMPT P43490 1/20 0.37
SCN9A Q15858 3/20 0.36
TSHR P16473 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
DPP8 Q6V1X1 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
SCHEMBL13603823 0.78 DRD2 (0.42) EPHX2XIAPDRD2KMT2AL3MBTL1
SCHEMBL13916618 0.78 USP2 (0.40) XIAPUSP2TSHRDPP8DPP9
SCHEMBL26847743 0.77 SPPL2A (0.54) EPHX2XIAPDRD2KMT2AL3MBTL1
SCHEMBL25408033 0.77 SPPL2A (0.54) EPHX2XIAPDRD2KMT2AL3MBTL1
SCHEMBL26847739 0.77 SPPL2A (0.54) EPHX2XIAPDRD2KMT2AL3MBTL1
SCHEMBL9875591 0.72 EPHX2 (0.48) EPHX2XIAPDRD2KMT2AL3MBTL1
SCHEMBL6564073 0.70 GAA (0.42) NFKB1NFKB2RELA
SCHEMBL4158955 0.70 EPHX2 (0.44) EPHX2DRD2KMT2AL3MBTL1USP2
SCHEMBL26848107 0.70 SPPL2A (0.64) XIAPDRD2SPPL2APSEN1PSEN2
SCHEMBL28513980 0.69 PSEN1 (0.46) KMT2AL3MBTL1SCN9APSEN1PSEN2

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-20090069302-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-12 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-20090069302-A1 CHEMICAL COMPOUNDS TBXA2R, PDE4D, PDE4A EPHX2 1480/4885XIAP 363/4885DRD2 732/4885

“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.