SCHEMBL22874540

SCHEMBL22874540

CC1CC=CC(N)=C1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 4/20 0.38
NFKB2 Q00653 4/20 0.38
RELA Q04206 4/20 0.38
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
GAA P10253 1/20 0.34
MAPKAPK2 P49137 2/20 0.33
AAK1 Q2M2I8 2/20 0.33
MAP4K4 O95819 1/20 0.32
PSMB8 P28062 1/20 0.32
BRD4 O60885 1/20 0.31
CREBBP Q92793 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
SCHEMBL28269645 0.69 NFKB1 (0.42) NFKB1NFKB2RELACA1CA2
SCHEMBL27991298 0.69 NFKB1 (0.42) NFKB1NFKB2RELACA1CA2
SCHEMBL1559073 0.66 NFKB1 (0.38) NFKB1NFKB2RELACA1CA2
SCHEMBL19512667 0.65 NFKB1 (0.40) NFKB1NFKB2RELACA1CA2
SCHEMBL18808294 0.64 GAA (0.43) NFKB1NFKB2RELAGAA
SCHEMBL17991583 0.64 NFKB1 (0.49) NFKB1NFKB2RELAGAA
SCHEMBL14072074 0.64 ATR (0.39) NFKB1NFKB2RELAGAAMAPKAPK2
SCHEMBL29032266 0.64 NFKB1 (0.39) NFKB1NFKB2RELACA1CA2
SCHEMBL15500654 0.63 LCK (0.36) NFKB1NFKB2RELACA1CA2
SCHEMBL31363590 0.63 DRD2 (0.33) NFKB1NFKB2RELACA1GAA

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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS BIOMARIN PHARMACEUTICAL INC. 2021-01-14 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-20210009519-A1 HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC2, HDAC3 NFKB1 2428/4885NFKB2 2029/4885RELA 965/4885

“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.