SCHEMBL342447

SCHEMBL342447

C[C@@H](C(=O)O)N(C)C(=O)OC(C)(C)C.O=C(O)CNC1CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.37
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
SCN1A P35498 1/20 0.35
SCN2A Q99250 1/20 0.35
SCN3A Q9NY46 1/20 0.35
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
BCHE P06276 1/20 0.34
HDAC4 P56524 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
BTK Q06187 1/20 0.33
EPHX2 P34913 1/20 0.33
CTSS P25774 1/20 0.32
CTSK P43235 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
SCHEMBL15584406 0.77 GAA (0.46) EPHX1GAALMNAKDM4EPOLB
SCHEMBL23976387 0.77 GAA (0.46) EPHX1GAALMNAKDM4EPOLB
SCHEMBL23976243 0.77 GAA (0.46) EPHX1GAALMNAKDM4EPOLB
SCHEMBL8994031 0.77 ALDH1A1 (0.40) GAALMNACTSSCTSK
SCHEMBL357909 0.77 AAK1 (0.33) GAAHDAC1HDAC6
SCHEMBL342692 0.77 AAK1 (0.33) GAAHDAC1HDAC6
SCHEMBL342693 0.77 AAK1 (0.33) GAAHDAC1HDAC6
SCHEMBL1706279 0.74 CTSS (0.35) EPHX1GAAHDAC4HDAC1HDAC6
SCHEMBL1054144 0.74 CTSS (0.35) EPHX1GAAHDAC4HDAC1HDAC6
SCHEMBL1054147 0.74 CTSS (0.35) EPHX1GAAHDAC4HDAC1HDAC6

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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040706-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2015-05-26 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 US disclosed
US-8609845-B2 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2013-12-17 US disclosed
EP-1836201-B2 PYRROLIDINE INHIBITORS OF IAP GENENTECH INC (US) 2013-09-04 EP disclosed
EP-2240506-B1 INHIBITORS OF IAP GENENTECH INC (US) 2012-12-26 EP disclosed
US-20120270886-A1 INHIBITORS OF IAP KOEHLER MICHAEL F T (US) 2012-10-25 US disclosed
US-8247557-B2 IAP inhibitors GENENTECH, INC. (US) 2012-08-21 US disclosed
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2012-01-19 US disclosed
US-8063218-B2 Imidazopyridine inhibitors of IAP GENENTECH, INC. (US) 2011-11-22 US disclosed
US-20090221630-A1 IAP INHIBITORS GENENTECH, INC. 2009-09-03 US disclosed
WO-2009089502-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-16 WO disclosed
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-07-09 US disclosed
WO-2008134679-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2008-11-06 WO disclosed
EP-1973899-A2 INHIBITORS OF IAP Genentech, Inc. (US) 2008-10-01 EP disclosed
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 WO disclosed
EP-1836201-A1 PYRROLIDINE INHIBITORS OF IAP Genentech, Inc. (US) 2007-09-26 EP disclosed
WO-2007106192-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2007-09-20 WO disclosed
US-20060167066-A1 Pyrrolidine inhibitors of IAP GENENTECH, INC. (US) 2006-07-27 US disclosed
WO-2006069063-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2006-06-29 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 (6 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-20090221630-A1 IAP INHIBITORS XIAP, BIRC5, BIRC3 EPHX1 2917/4885GAA 1277/4885LMNA 1324/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 EPHX1 3198/4885GAA 1437/4885LMNA 2663/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 EPHX1 2880/4885GAA 1363/4885LMNA 1317/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 EPHX1 2948/4885GAA 1729/4885LMNA 1793/4885
US-20060167066-A1 Pyrrolidine inhibitors of IAP BIRC5, XIAP, BIRC2 EPHX1 3253/4885GAA 1448/4885LMNA 2675/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 EPHX1 3198/4885GAA 1437/4885LMNA 2663/4885

“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.