SCHEMBL7081398

SCHEMBL7081398

CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)C2(Nc3cccc(C#N)c3)CCS(=O)(=O)CC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.41
F10 P00742 1/20 0.40
ALOX5AP P20292 8/20 0.40
FEN1 P39748 8/20 0.40
MCHR1 Q99705 2/20 0.39
KDR P35968 1/20 0.39
USP30 Q70CQ3 2/20 0.38
SLC22A12 Q96S37 1/20 0.38
FPR2 P25090 2/20 0.37
FPR1 P21462 1/20 0.37

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
SCHEMBL7081191 0.94 F10 (0.41) NAMPTF10ALOX5APFEN1MCHR1
SCHEMBL7078594 0.93 F10 (0.41) NAMPTF10ALOX5APFEN1MCHR1
SCHEMBL7084605 0.91 ALOX5AP (0.41) NAMPTF10ALOX5APFEN1KDR
SCHEMBL7084352 0.91 NAMPT (0.41) NAMPTF10ALOX5APFEN1MCHR1
SCHEMBL7079085 0.90 NAMPT (0.43) NAMPTF10MCHR1KDR
SCHEMBL7078082 0.85 GPR119 (0.49) F10FPR2FPR1
SCHEMBL7076657 0.84 F10 (0.40) F10
SCHEMBL7082152 0.84 F10 (0.44) NAMPTF10MCHR1KDR
SCHEMBL7078610 0.83 F10 (0.43) NAMPTF10MCHR1KDR
Acetic Acid SCHEMBL7080837 0.83 F10 (0.47) F10

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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives MERCK PATENT GMBH (DE) 2003-08-28 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-20030162814-A1 N-substituted 1-amino-1,1-dialkylcarboxylic acid derivatives F5, CCNY, F2 NAMPT 4164/4885F10 5/4885ALOX5AP 369/4885

“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.