SCHEMBL7084412

SCHEMBL7084412

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C(C)(C)Nc2cccc(C#N)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
ALOX5AP P20292 8/20 0.42
FEN1 P39748 8/20 0.42
KDR P35968 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
SLC22A12 Q96S37 1/20 0.41
NAMPT P43490 1/20 0.40
MAPK14 Q16539 1/20 0.40
KCNJ6 P48051 1/20 0.40
KCNJ5 P48544 1/20 0.40
KCNJ3 P48549 1/20 0.40
FPR1 P21462 1/20 0.40
FPR2 P25090 1/20 0.40

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
SCHEMBL7076844 0.89 F10 (0.47) F10PDK1PDK2PDK3PDK4
SCHEMBL6993126 0.82 F10 (0.52) F10
SCHEMBL7084793 0.81 F10 (0.41) F10ALOX5APFEN1FPR1FPR2
SCHEMBL7409047 0.81 F10 (0.44) F10ALOX5APFEN1KDRMEN1
SCHEMBL6166616 0.81 F10 (0.52) F10ALOX5APFEN1MAPTNAMPT
SCHEMBL7081191 0.80 F10 (0.41) F10ALOX5APFEN1KDRMEN1
Acetic Acid SCHEMBL7080812 0.80 F10 (0.51) F10
SCHEMBL7143506 0.79 USP30 (0.44) F10ALOX5APFEN1KDRKMT2A
SCHEMBL7078594 0.79 F10 (0.41) F10ALOX5APFEN1KDRMEN1
SCHEMBL7451707 0.79 F10 (0.53) F10ALOX5APFEN1

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 US disclosed
EP-1303482-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GmbH (DE) 2003-04-23 EP disclosed
WO-2002008177-A2 N-SUBSTITUTED-1-AMINO-1,1-DIALKYLCARBOXYLIC ACID DERIVATIVES MERCK PATENT GMBH (DE) 2002-01-31 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 F10 5/4885PDK1 440/4885PDK2 134/4885

“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.