SCHEMBL6696013

SCHEMBL6696013

Cc1ccc(NC(=O)Nc2ncc(CCNC(=O)NCC(=O)O)s2)c(OCC(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AURKA O14965 3/20 0.39
AURKB Q96GD4 1/20 0.38
MAPK14 Q16539 10/20 0.38
MAPK13 O15264 4/20 0.38
LPAR1 Q92633 1/20 0.35
MYC P01106 1/20 0.35
MAX P61244 1/20 0.35

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
SCHEMBL1340531 0.89 AURKA (0.40) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL6701777 0.89 AURKA (0.39) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL6695295 0.89 AURKA (0.40) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL1343244 0.89 AURKA (0.40) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL1343247 0.88 ITGB1 (0.37) MAPK14MAPK13LPAR1MYCMAX
SCHEMBL6695225 0.87 AURKA (0.39) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL1342817 0.87 ADRB2 (0.40) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL1342497 0.85 ITGB1 (0.42) MAPK14MAPK13LPAR1MYCMAX
SCHEMBL1342216 0.84 AURKA (0.39) AURKAAURKBMAPK14MAPK13LPAR1
SCHEMBL1342997 0.84 NAMPT (0.40) MAPK14LPAR1MYCMAX

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents VTV THERAPEUTICS LLC 2004-06-24 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-20040122235-A1 Aryl carbonyl derivatives as therapeutic agents GCK, GCKR, PDK2 AURKA 3432/4885AURKB 2691/4885MAPK14 1028/4885

“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.