SCHEMBL4707263

SCHEMBL4707263

CC(C)(C)OC(=O)NCC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.52
IDO1 P14902 1/20 0.51
SIGMAR1 Q99720 2/20 0.51
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA7 P43166 1/20 0.50
CA14 Q9ULX7 1/20 0.50
AKT1 P31749 2/20 0.48
CTSS P25774 5/20 0.47
CTSK P43235 3/20 0.47
CTSL P07711 2/20 0.47
CTSB P07858 2/20 0.47
NPFFR1 Q9GZQ6 1/20 0.46
NPFFR2 Q9Y5X5 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
ATM Q13315 1/20 0.46
KDM4A O75164 1/20 0.44
GLS O94925 1/20 0.43

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
SCHEMBL1294775 0.91 CTSS (0.52) SYKIDO1SIGMAR1CA12CA1
SCHEMBL6428058 0.88 ALOX5 (0.52) SYKPPARG
SCHEMBL1294752 0.86 TDP1 (0.46) SYKSIGMAR1PPARAPPARG
SCHEMBL30806988 0.85 CYP17A1 (0.51) SYKSIGMAR1
SCHEMBL1295503 0.85 CTSS (0.48) CTSSCTSK
SCHEMBL1294872 0.85 GAA (0.54) IDO1PPARAPPARG
SCHEMBL1295442 0.85 CTSS (0.48) CTSSCTSK
SCHEMBL1296370 0.85 EPHX2 (0.46)
SCHEMBL1295524 0.84 POLB (0.49) SYKIDO1SIGMAR1ATMGLS
SCHEMBL1294826 0.84 HTT (0.50) PPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2925746-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-10-07 EP disclosed
EP-2906581-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
EP-2906582-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. Hoffmann-La Roche AG (CH) 2015-08-19 EP disclosed
WO-2014086663-A1 SUBSTITUTED TRIAZOLE AND IMIDAZOLE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-06-12 WO disclosed
WO-2014056748-A1 KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
WO-2014056954-A1 MACROCYCLIC KETOAMIDE IMMUNOPROTEASOME INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2014-04-17 WO disclosed
EP-1981854-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS Brystol-Myers Squibb Company (US) 2008-10-22 EP disclosed
WO-2007070826-A1 ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-21 WO disclosed
US-7026326-B2 Substituted heterocyclic compounds and methods of use AMGEN INC. (US) 2006-04-11 US disclosed
US-20050038010-A1 Substituted heterocyclic compounds and methods of use AMGEN, INC. 2005-02-17 US disclosed
EP-1318978-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS Abbott Laboratories (US) 2003-06-18 EP disclosed
EP-1303488-A1 PIPERIDINE COMPOUNDS FOR USE AS CCR-3 INHIBITORS Novartis AG (CH) 2003-04-23 EP disclosed
WO-2002024636-A2 N-ACYLSULFONAMIDE APOPTOSIS PROMOTERS ABBOTT LABORATORIES (US) 2002-03-28 WO disclosed
WO-2002004420-A1 PIPERIDINE COUMPOUNDS FOR USE AS CCR-3 INHIBITORS NOVARTIS AG (CH) 2002-01-17 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 (1 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-20050038010-A1 Substituted heterocyclic compounds and methods of use MYLK2, MYLK, MCL1 SYK 1372/4885IDO1 520/4885SIGMAR1 2874/4885

“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.