SCHEMBL722900

SCHEMBL722900

CC(C)(C)OC(=O)n1cc(B2CC(C)(C)C(C)(C)C2)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
NR1H2 P55055 1/20 0.38
SCD O00767 1/20 0.36
BUB1 O43683 1/20 0.34
CYP11B2 P19099 1/20 0.33
ELANE P08246 1/20 0.33
PREP P48147 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
GSK3B P49841 1/20 0.32
DYRK1A Q13627 1/20 0.32
USP30 Q70CQ3 1/20 0.31
ACACB O00763 5/20 0.31
HTT P42858 1/20 0.31
ATM Q13315 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
SCHEMBL24920359 0.81 ROCK2 (0.36) ROCK2NR1H2SCDELANEGPR119
SCHEMBL141413 0.78 FFAR1 (0.52) ROCK2NR1H2SCDGSK3BUSP30
SCHEMBL23360896 0.77 FFAR1 (0.40) ROCK2NR1H2SCDUSP30
SCHEMBL23349424 0.76 SCD (0.38) ROCK2NR1H2SCDELANEUSP30
SCHEMBL19964091 0.74 FFAR1 (0.40) ROCK2NR1H2SCDELANEUSP30
SCHEMBL25826104 0.74 FFAR1 (0.44) ROCK2NR1H2SCDUSP30
SCHEMBL19341509 0.74 FFAR1 (0.44) ROCK2NR1H2SCDUSP30
SCHEMBL1206008 0.73 ROCK2 (0.45) ROCK2NR1H2SCDELANEGPR119
SCHEMBL25045768 0.73 ROCK2 (0.44) ROCK2NR1H2SCDELANEGPR119
SCHEMBL30350813 0.73 ROCK2 (0.36) ROCK2NR1H2SCDELANEUSP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2012-03-01 US disclosed
WO-2011156610-A2 INHIBITORS OF HEPATITIS C VIRUS GILEAD SCIENCES, INC. (US) 2011-12-15 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-20120053148-A1 INHIBITORS OF HEPATITIS C VIRUS HAVCR2, FABP1, EIF2AK2 ROCK2 3234/4885NR1H2 265/4885SCD 2390/4885

“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.