SCHEMBL4594957

SCHEMBL4594957

COc1cccc(CC(=O)CC#N)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTBP2 P56545 1/20 0.54
CES2 O00748 1/20 0.51
CES1 P23141 1/20 0.51
CYP1A2 P05177 1/20 0.48
MAPK8 P45983 1/20 0.47
RAB9A P51151 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
SIGMAR1 Q99720 1/20 0.46
MTNR1A P48039 1/20 0.46
MTNR1B P49286 1/20 0.46
USP2 O75604 1/20 0.46
CMA1 P23946 1/20 0.45

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
SCHEMBL4071390 0.85 CTBP2 (0.64) CTBP2CES2CES1CYP1A2POLB
SCHEMBL63250 0.85 HDAC1 (0.51) CES2CES1RAB9AMTNR1AMTNR1B
SCHEMBL31618812 0.82 CTBP2 (0.60) CTBP2CYP1A2POLBMEN1KMT2A
SCHEMBL5322203 0.82 CTBP2 (0.60) CTBP2CYP1A2POLBMEN1KMT2A
SCHEMBL11621845 0.81 CTBP2 (0.63) CTBP2CYP1A2RAB9APOLBMEN1
SCHEMBL922780 0.81 HTT (0.54) CTBP2CES2CES1POLBKMT2A
SCHEMBL2984152 0.80 PLA2G4B (0.42) KMT2AHTT
SCHEMBL23014561 0.80 CTBP2 (0.57) CTBP2CYP1A2MAPK8POLBMEN1
SCHEMBL4852261 0.80 CTBP2 (0.50) CTBP2MAPK8POLBALDH1A1
SCHEMBL11229889 0.80 CTBP2 (0.57) CTBP2CYP1A2POLBMEN1KMT2A

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-20080318947-A1 Inhibitors of Akt Activity HEERDING DIRK A 2008-12-25 US disclosed
EP-1874768-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-01-09 EP disclosed
WO-2006113837-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-10-26 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-20080318947-A1 Inhibitors of Akt Activity PI4KB, PIK3CA, AKT2 CTBP2 1950/4885CES2 4614/4885CES1 2721/4885

“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.