SCHEMBL1905568

SCHEMBL1905568

CS(=O)(=O)c1nc2oc(-c3ccc(C4(NC(=O)O)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNK2 Q07912 10/20 0.39
MAPK8 P45983 1/20 0.36
PTGS2 P35354 2/20 0.36
ALDH1A1 P00352 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLA2G1B P04054 1/20 0.35
ATG4B Q9Y4P1 1/20 0.35
LCK P06239 4/20 0.33
PDE2A O00408 1/20 0.33
AURKA O14965 1/20 0.33
OPRM1 P35372 1/20 0.32
OPRL1 P41146 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32
ABCC1 P33527 1/20 0.32
KDR P35968 1/20 0.32
JAK3 P52333 1/20 0.32
ABL1 P00519 1/20 0.32

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
SCHEMBL14118797 0.92 AKT1 (0.39) TNK2MAPK8PTGS2ALDH1A1NPSR1
SCHEMBL1901455 0.91 TNK2 (0.37) TNK2PTGS2LCKPDE2AAURKA
SCHEMBL1902637 0.88 TNK2 (0.37) TNK2PTGS2ALDH1A1PDE2AAURKA
SCHEMBL1904909 0.88 ALDH1A1 (0.41) TNK2ALDH1A1NPSR1LCKPDE2A
SCHEMBL1904237 0.88 TNK2 (0.37) TNK2MAPK8ALDH1A1NPSR1TDP1
SCHEMBL1903809 0.88 ALDH1A1 (0.38) TNK2MAPK8ALDH1A1NPSR1TDP1
SCHEMBL1903457 0.84 ALDH1A1 (0.42) TNK2ALDH1A1NPSR1TDP1L3MBTL1
SCHEMBL1907722 0.82 AKT1 (0.41) TNK2LCKPDE2AAURKAAKT1
SCHEMBL1904495 0.81 ALDH1A1 (0.39) TNK2ALDH1A1NPSR1L3MBTL1LCK
SCHEMBL14118799 0.81 AKT1 (0.40) TNK2MAPK8ALDH1A1NPSR1TDP1

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-20120309739-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2012-12-06 US disclosed
EP-2496566-A1 AKT / PKB INHIBITORS Almac Discovery Limited (GB) 2012-09-12 EP disclosed
WO-2011055115-A1 AKT / PKB INHIBITORS ALMAC DISCOVERY LIMITED (GB) 2011-05-12 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-20120309739-A1 AKT / PKB INHIBITORS AKT1, AKT2, AKT3 TNK2 33/4885MAPK8 217/4885PTGS2 2547/4885

“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.