SCHEMBL1162877

SCHEMBL1162877

CC[C@H](NCC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.42
CTSS P25774 4/20 0.42
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2D6 P10635 1/20 0.34
PTPRC P08575 2/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PPARA Q07869 2/20 0.33
PPARG P37231 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33

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
SCHEMBL4971083 1.00 CTSK (0.42) CTSKCTSSMEN1GAAKMT2A
SCHEMBL4096308 1.00 CTSK (0.42) CTSKCTSSMEN1GAAKMT2A
SCHEMBL18248134 0.88 CTSK (0.46) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1162846 0.86 TGFBR1 (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL12805714 0.86 TGFBR1 (0.41) CTSKCTSSMEN1GAAKMT2A
SCHEMBL8751934 0.84 CYP2D6 (0.36) CTSKCTSSMEN1GAAKMT2A
SCHEMBL21877891 0.84 GRN (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL21877890 0.84 GRN (0.38) CTSKCTSSMEN1GAAKMT2A
SCHEMBL2586168 0.84 MEN1 (0.36) CTSKCTSSMEN1GAAKMT2A
SCHEMBL1162906 0.84 MEN1 (0.36) CTSKCTSSMEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2897972-B1 2-OXO-2,3,4,5-TETRAHYDRO-1H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER HOFFMANN LA ROCHE (CH) 2016-11-30 EP disclosed
EP-2897972-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER F. Hoffmann-La Roche AG (CH) 2015-07-29 EP disclosed
WO-2014044622-A1 2-OXO-2,3,4,5-TETRAHYDRO-1 H-BENZO[B]DIAZEPINES AND THEIR USE IN THE TREATMENT OF CANCER F. HOFFMANN-LA ROCHE AG (CH) 2014-03-27 WO disclosed
US-8338440-B2 Inhibitors of IAP NOVARTIS AG 2012-12-25 US disclosed
EP-2253614-B1 Inhibitors of IAP NOVARTIS AG (CH) 2012-09-19 EP disclosed
EP-1735307-B1 INHIBITORS OF IAP NOVARTIS AG (CH) 2012-08-29 EP disclosed
US-20120207769-A1 Inhibitors of IAP NOVARTIS AG (CH) 2012-08-16 US disclosed
US-8207183-B2 Inhibitors of IAP NOVARTIS AG (CH) 2012-06-26 US disclosed
US-20110281875-A1 Inhibitors of IAP NOVARTIS AG (CH) 2011-11-17 US disclosed
US-20110281845-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2011-11-17 US disclosed
EP-2065368-A1 Inhibitors of IAP Novartis Ag (CH) 2009-06-03 EP disclosed
US-20090069294-A1 Organic Compounds NOVARTIS AG (CH) 2009-03-12 US disclosed
US-20080242658-A1 Inhibitors of Iap NOVARTIS AG (CH) 2008-10-02 US disclosed
US-7419975-B2 Organic compounds NOVARTIS AG (CH) 2008-09-02 US disclosed
EP-1902065-A2 CYCLIC AMIDE DERIVATIVES INHIBITORS OF THE INHIBITOR OF APOPTOSIS PROTEINS, THEIR PREPARATION, AND THEIR USE Novartis AG (CH) 2008-03-26 EP disclosed
CN-1964970-A Inhibitors of IAP NOVARTIS AG (CH) 2007-05-16 CN disclosed
EP-1735307-A1 INHIBITORS OF IAP Novartis AG (CH) 2006-12-27 EP disclosed
WO-2006133147-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-12-14 WO disclosed
US-20050234042-A1 Organic compounds PALERMO MARK G 2005-10-20 US disclosed
WO-2005097791-A1 INHIBITORS OF IAP NOVARTIS AG (CH) 2005-10-20 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-20090069294-A1 Organic Compounds XIAP, BAX, MCL1 CTSK 3081/4885CTSS 3187/4885MEN1 2628/4885
US-20080242658-A1 Inhibitors of Iap XIAP, BIRC2, BIRC5 CTSK 2123/4885CTSS 1906/4885MEN1 2598/4885
US-20110281845-A1 ORGANIC COMPOUNDS XIAP, BAX, MCL1 CTSK 3080/4885CTSS 3185/4885MEN1 2630/4885
US-20110281875-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 CTSK 2630/4885CTSS 2388/4885MEN1 2365/4885
US-20050234042-A1 Organic compounds AIFM1, BAX, API5 CTSK 3637/4885CTSS 3056/4885MEN1 3135/4885
US-20120207769-A1 Inhibitors of IAP BIRC7, BIRC2, BIRC5 CTSK 2630/4885CTSS 2388/4885MEN1 2365/4885

“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.