SCHEMBL12115149

SCHEMBL12115149

CN(C)S(=O)(=O)CCOC1CCN(c2cncc3ccc(C(N)=O)cc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 2/20 0.41
MAPT P10636 2/20 0.34
CTPS1 P17812 1/20 0.34
TP53 P04637 1/20 0.34
HTT P42858 1/20 0.34
HRH3 Q9Y5N1 5/20 0.33
POLB P06746 1/20 0.32
SCN9A Q15858 1/20 0.32
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RPS6KB1 P23443 1/20 0.31
CHEK2 O96017 2/20 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
SCHEMBL12115132 0.87 CDK8 (0.41) CDK8MAPTCTPS1TP53HTT
SCHEMBL1320572 0.87 CDK8 (0.45) CDK8MAPTCTPS1TP53HTT
SCHEMBL1318684 0.85 CDK8 (0.44) CDK8MAPTCTPS1TP53HTT
SCHEMBL12115120 0.84 CDK8 (0.38) CDK8MAPTHRH3POLBKDM4E
SCHEMBL12115146 0.84 CCNC (0.36) CDK8HRH3RPS6KB1
SCHEMBL12115108 0.83 CDK8 (0.43) CDK8MAPTCTPS1TP53HTT
SCHEMBL12115091 0.83 CDK8 (0.41) CDK8MAPTCTPS1TP53HTT
SCHEMBL1318385 0.82 CDK8 (0.42) CDK8MAPTCTPS1TP53HTT
SCHEMBL12115089 0.81 CDK8 (0.41) CDK8MAPTCTPS1TP53HTT
SCHEMBL12115071 0.81 CDK8 (0.47) CDK8MAPTCTPS1TP53HTT

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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
US-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-11-03 US disclosed
WO-2010082563-A1 CYCLIC COMPOUND HAVING HETERO ATOM 第一三共株式会社 (JP) 2010-07-22 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-20110269746-A1 CYCLIC COMPOUND HAVING HETERO ATOM BMP2, BMP4, BMP1 CDK8 1711/4885MAPT 4445/4885CTPS1 4237/4885

“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.