SCHEMBL7931746

SCHEMBL7931746

CC(C)(C)OC(=O)NCc1ccc(NC(=O)CS)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.58
MAPT P10636 4/20 0.54
TDP1 Q9NUW8 4/20 0.54
L3MBTL1 Q9Y468 1/20 0.51
NPSR1 Q6W5P4 2/20 0.50
XBP1 P17861 1/20 0.50
GPR55 Q9Y2T6 1/20 0.50
FPR3 P25089 1/20 0.49
FPR2 P25090 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
GAA P10253 1/20 0.46
CYP17A1 P05093 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL15692011 0.86 NAMPT (0.58) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL7925081 0.85 CYP17A1 (0.52) NAMPTMAPTL3MBTL1CA1CA2
SCHEMBL19694494 0.84 NAMPT (0.62) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL15669255 0.84 NAMPT (0.56) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL3180689 0.83 L3MBTL1 (0.61) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL8253777 0.83 NAMPT (0.60) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL16193025 0.83 NAMPT (0.60) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL2589540 0.83 NAMPT (0.60) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL23899245 0.82 NAMPT (0.72) NAMPTMAPTTDP1L3MBTL1NPSR1
SCHEMBL8258345 0.82 NAMPT (0.59) NAMPTMAPTTDP1L3MBTL1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT ABSOLUTE SCIENCE, INC. (US) 2011-08-04 US disclosed
US-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-10 US disclosed
WO-2010033360-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT 1/3 ABSOLUTE SCIENCE, INC. (US) 2010-03-25 WO disclosed
WO-2009045761-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES ABSOLUTE SCIENCE, INC. (US) 2009-04-09 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 (2 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-20110034521-A1 COMPOUNDS AND METHODS FOR TREATING ZINC MATRIX METALLOPROTEASE DEPENDENT DISEASES MMP7, MMP3, MMP9 NAMPT 338/4885MAPT 1781/4885TDP1 1941/4885
US-20110190285-A1 METHODS OF TREATING A BOTULINUM TOXIN RELATED CONDITION IN A SUBJECT NPY5R, RAC3, CPA3 NAMPT 2664/4885MAPT 2849/4885TDP1 2088/4885

“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.