SCHEMBL10182947

SCHEMBL10182947

CC(C)[C@H](NC(=O)[C@H](C)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCNC(=O)c1ccc2c(c1)C(=O)OC21c2ccc(O)cc2Oc2cc(O)ccc21)C(=O)N[C@@H](CCCCN)C(N)=O)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 7/20 0.51
WDR77 Q9BQA1 7/20 0.51
TACR2 P21452 1/20 0.49
TSG101 Q99816 11/20 0.48
MEN1 O00255 1/20 0.45

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
SCHEMBL15591315 1.00 PRMT5 (0.51) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL10167164 0.96 TACR2 (0.53) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL15099968 0.96 PRMT5 (0.50) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL13779892 0.95 TACR2 (0.47) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL13492856 0.95 PRMT5 (0.48) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL15088335 0.93 PRMT5 (0.48) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL18595987 0.91 PRMT5 (0.49) PRMT5WDR77TACR2TSG101
SCHEMBL12837921 0.90 MDM2 (0.42) PRMT5WDR77TACR2TSG101MEN1
SCHEMBL14144739 0.77 ALB (0.51) TACR2
SCHEMBL15489018 0.72 ALB (0.49) TACR2TSG101MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8980837-B2 Inhibitors of IAP GENENTECH, INC. (US) 2015-03-17 US disclosed
US-8907092-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-12-09 US disclosed
EP-1778718-B1 INHIBITORS OF IAP GENENTECH INC (US) 2014-10-08 EP disclosed
US-8835393-B2 Inhibitors of IAP GENENTECH, INC. (US) 2014-09-16 US 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
US-20120202750-A1 INHIBITORS OF IAP GENENTECH, INC. (US) 2012-08-09 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
US-20090221630-A1 IAP INHIBITORS GENENTECH, INC. 2009-09-03 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP GENENTECH, INC. (US) 2008-06-19 US disclosed
US-7345081-B2 Azabicyclo-octane inhibitors of IAP GENENTECH, INC. (US) 2008-03-18 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
US-20070299052-A1 Inhibitors of IAP GENENTECH, INC. (US) 2007-12-27 US disclosed
WO-2007106192-A2 INHIBITORS OF IAP GENENTECH, INC. (US) 2007-09-20 WO disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 US disclosed
US-7244851-B2 1-[2-Cyclohexyl-2-(2-methylamino-propionylamino)-acetyl]-pyrrolidine-2-carboxylic acid (2-phenyl-2H-pyrazol-3-yl)-amide; inhibitors of IAP, for treating malignancies GENENTECH, INC. (US) 2007-07-17 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 (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 PRMT5 1073/4885WDR77 1105/4885TACR2 4059/4885
US-20080146808-A1 AZABICYCLO-OCTANE INHIBITORS OF IAP XIAP, BIRC3, BIRC2 PRMT5 1622/4885WDR77 1397/4885TACR2 667/4885
US-20070299052-A1 Inhibitors of IAP XIAP, BIRC5, BIRC3 PRMT5 1021/4885WDR77 715/4885TACR2 4224/4885
US-20120202750-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 PRMT5 1021/4885WDR77 715/4885TACR2 4224/4885
US-20120270886-A1 INHIBITORS OF IAP XIAP, BIRC5, BIRC3 PRMT5 934/4885WDR77 905/4885TACR2 4378/4885
US-20120015974-A1 IMIDAZOPYRIDINE INHIBITORS OF IAP BIRC5, XIAP, BIRC3 PRMT5 407/4885WDR77 622/4885TACR2 4439/4885

“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.