SCHEMBL9906480

SCHEMBL9906480

CN1C(=O)C[C@H](NC(=O)OC(C)(C)C)C1=O

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.50
NFKB1 P19838 4/20 0.45
NFKB2 Q00653 4/20 0.45
RELA Q04206 4/20 0.45
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
CTSK P43235 2/20 0.38
SCN9A Q15858 2/20 0.38
BTK Q06187 1/20 0.38

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
SCHEMBL83962 0.86 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL14468801 0.86 GAA (0.47) GAANFKB1NFKB2RELACTSK
SCHEMBL13485277 0.85 ALDH1A1 (0.49) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL13485309 0.85 ALDH1A1 (0.49) GAAKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL28601656 0.81 GAA (0.48) GAANFKB1NFKB2RELAKMT2A
SCHEMBL4703211 0.81 GAA (0.48) GAANFKB1NFKB2RELAKMT2A
SCHEMBL4699843 0.81 GAA (0.48) GAANFKB1NFKB2RELAKMT2A
SCHEMBL28601660 0.81 GAA (0.48) GAANFKB1NFKB2RELAKMT2A
SCHEMBL9906478 0.81 GAA (0.45) GAANFKB1NFKB2RELAALDH1A1
SCHEMBL23894828 0.80 CYP1A2 (0.43) GAAKDM4EALDH1A1MAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198276-B2 Kinase inhibitor compounds XCOVERY HOLDING COMPANY LLC (US) 2012-06-12 US disclosed
US-20100144768-A1 KINASE INHIBITOR COMPOUNDS COMPASS HORIZON FUNDING COMPANY LLC 2010-06-10 US disclosed
WO-2008153942-A1 KINASE INHIBITOR COMPOUNDS XCOVERY, INC. (US) 2008-12-18 WO 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-20100144768-A1 KINASE INHIBITOR COMPOUNDS MAP3K9, MAP3K1, MAP3K8 GAA 1840/4885NFKB1 663/4885NFKB2 763/4885

“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.