SCHEMBL10149436

SCHEMBL10149436

C[C@@H](C(=O)N[C@H](C(=O)O)C1CCOCC1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.39
PYGL P06737 1/20 0.33
CYP2C9 P11712 1/20 0.33
MMP13 P45452 2/20 0.32
KMT2A Q03164 1/20 0.31
CTSD P07339 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30

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
SCHEMBL11987474 0.89 AAK1 (0.38) AAK1
SCHEMBL1054147 0.88 CTSS (0.35) AAK1PYGLMMP13KMT2ACTSS
SCHEMBL1706279 0.88 CTSS (0.35) AAK1PYGLMMP13KMT2ACTSS
SCHEMBL1054148 0.88 CTSS (0.35) AAK1PYGLMMP13KMT2ACTSS
SCHEMBL1054144 0.88 CTSS (0.35) AAK1PYGLMMP13KMT2ACTSS
SCHEMBL10182733 0.82 AAK1 (0.34) AAK1KMT2A
SCHEMBL13576857 0.82 PYGL (0.35) PYGLCYP2C9
SCHEMBL1691482 0.78 AAK1 (0.53) AAK1PYGLCYP2C9KMT2ACTSL
SCHEMBL16097567 0.78 AAK1 (0.53) AAK1PYGLCYP2C9KMT2ACTSL
SCHEMBL3370249 0.78 AAK1 (0.53) AAK1PYGLCYP2C9KMT2ACTSL

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 30 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-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-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2014-03-20 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-8247557-B2 IAP inhibitors GENENTECH, INC. (US) 2012-08-21 US disclosed
WO-2010021934-A2 AZAINDOLE INHIBITORS OF IAP GENENTECH, INC. (US) 2010-02-25 WO disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2009-12-24 US disclosed
US-20090221630-A1 IAP INHIBITORS GENENTECH, INC. 2009-09-03 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
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
WO-2008079735-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-07-03 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 (5 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 AAK1 1553/4885PYGL 2661/4885CYP2C9 4869/4885
US-20090176822-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 AAK1 1999/4885PYGL 2738/4885CYP2C9 4869/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 AAK1 1731/4885PYGL 2807/4885CYP2C9 4876/4885
US-20140080805-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 AAK1 1999/4885PYGL 2738/4885CYP2C9 4869/4885
US-20090318409-A1 PYRROLIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC2 AAK1 1999/4885PYGL 2738/4885CYP2C9 4869/4885

“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.