SCHEMBL8230908

SCHEMBL8230908

CC(C)(C)OC(=O)/N=C(/NCCC[C@H](N)C(O)c1nc2ccccc2o1)NC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.36
NPC1 O15118 5/20 0.34
RAB9A P51151 5/20 0.34
TNF P01375 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
BRD4 O60885 4/20 0.34
BCHE P06276 1/20 0.33
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTPN2 P17706 1/20 0.32
PTPN1 P18031 1/20 0.32
EPHX2 P34913 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL12226030 0.86 MAPT (0.46) MAPTBRD4BCHEEPHX2MEN1
SCHEMBL12226081 0.85 HPGD (0.37) MAPTNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL12226125 0.85 MAPT (0.45) MAPTBRD4BCHEADORA3
SCHEMBL8225202 0.84 MAPT (0.47) MAPTL3MBTL1
SCHEMBL12247694 0.83 CYP3A4 (0.35) NPC1RAB9AL3MBTL1BRD4HPGD
SCHEMBL8230184 0.83 PTPN1 (0.42) MAPTNPC1RAB9APTPN2PTPN1
SCHEMBL12226098 0.81 DRD2 (0.35)
SCHEMBL12226066 0.81 P2RY14 (0.37) MAPTKDM4EALDH1A1HSD17B10PTPN2
SCHEMBL6206334 0.80 MEN1 (0.46) MAPTBRD4BCHEADORA3MEN1
SCHEMBL14355363 0.79 PTPN1 (0.37) MAPTNPC1RAB9AHPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-8338469-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2012-12-25 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2011-10-20 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
US-7951823-B2 Compounds and compositions as channel activating protease inhibitors IRM LLC (BM) 2011-05-31 US disclosed
WO-2007137080-A2 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS IRM LLC (BM) 2007-11-29 WO disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 US disclosed
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors IRM LLC (BM) 2007-11-29 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 (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-20110257077-A1 COMPOUNDS AND COMPOSITIONS AS CHANNEL ACTIVATING PROTEASE INHIBITORS PRSS1, PRSS8, PRSS2 MAPT 1916/4885NPC1 726/4885RAB9A 3044/4885
US-20070275906-A1 Compounds and Compositions as Channel Activating Protease Inhibitors PRSS1, PRSS8, PRSS2 MAPT 1916/4885NPC1 726/4885RAB9A 3044/4885

“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.