SCHEMBL10173079

SCHEMBL10173079

CC(C)(C)OC(=O)n1c(B(O)O)nc2cc(Br)ccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CCNB2 O95067 1/20 0.39
CDK1 P06493 1/20 0.39
CCNB1 P14635 1/20 0.39
GSK3B P49841 1/20 0.39
CCNB3 Q8WWL7 1/20 0.39
BACE1 P56817 2/20 0.38
NR1H2 P55055 10/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
GABRA5 P31644 2/20 0.36
USP30 Q70CQ3 2/20 0.35
NR1H3 Q13133 3/20 0.35
GABRA1 P14867 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
SLC22A12 Q96S37 1/20 0.34

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
SCHEMBL3756850 0.83 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL856144 0.79 TBXA2R (0.39) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL481590 0.78 BACE1 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL4527113 0.78 CCNB2 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL28877791 0.77 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL29967119 0.77 BACE1 (0.38) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL7921587 0.77 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL31140070 0.77 CCNB2 (0.41) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL16150279 0.76 CCNB2 (0.37) CCNB2CDK1CCNB1GSK3BCCNB3
SCHEMBL31144615 0.75 HTR6 (0.44) CCNB2CDK1CCNB1GSK3BCCNB3

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-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-8871759-B2 Inhibitors of hepatitis C virus replication MERCK SHARP & DOHME CORP. (US) 2014-10-28 US disclosed
US-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION MERCK SHARP & DOHME CORP (NJ) 2012-04-05 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-20120083483-A1 INHIBITORS OF HEPATITIS C VIRUS REPLICATION HAVCR2, HCCS, EIF2AK2 CCNB2 1117/4885CDK1 81/4885CCNB1 423/4885

“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.