SCHEMBL3944495

SCHEMBL3944495

CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.72
CTSS P25774 10/20 0.70
CTSK P43235 9/20 0.70
CTSB P07858 4/20 0.70
CTSL P07711 3/20 0.70
AKT1 P31749 1/20 0.60
ACE P12821 1/20 0.60
HDAC4 P56524 1/20 0.55
HDAC1 Q13547 1/20 0.55
REN P00797 1/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL9610766 1.00 HDAC8 (0.72) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3667404 0.93 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3667405 0.93 HDAC8 (0.64) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3007610 0.92 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL31075430 0.92 CTSS (0.65) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL23477265 0.92 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3006410 0.92 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL30134871 0.92 HDAC8 (0.66) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3006406 0.92 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL
SCHEMBL3007613 0.92 HDAC8 (0.63) HDAC8CTSSCTSKCTSBCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
EP-1299426-B1 IMPROVED MICROGELS AND FILMS FRAUNHOFER GES FORSCHUNG (DE) 2009-04-08 EP disclosed
CN-1264817-C Certain cyclic thio substitued acylaminoacid amide derivatives NOVARTIS AG (CH) 2006-07-19 CN disclosed
US-RE39088-E1 Amide compounds and use of the same JAPAN TOBACCO, INC. (JP) 2006-05-02 US disclosed
EP-0849256-B1 AMIDE COMPOUNDS AND USE OF THE SAME JAPAN TOBACCO INC (JP) 2005-06-08 EP disclosed
EP-0966439-B1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES NOVARTIS AG (CH) 2003-06-04 EP disclosed
EP-1304322-A2 Carboxylic acid compound and use thereof Japan Tobacco Inc. (JP) 2003-04-23 EP disclosed
US-6420561-B1 Amide compounds and use thereof JAPAN TOBACCO INC. (JP) 2002-07-16 US disclosed
US-6201133-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS, TREATING TNF ALPHA AND MATRIX METALLOPROTEINASE DEPENDENT DISEASES OR CONDITIONS, CANCER NOVARTIS AG (CH) 2001-03-13 US disclosed
US-6174887-B1 Amide compounds and use of the same JAPAN TOBACCO INC. (JP) 2001-01-16 US disclosed
CN-1251092-A Certain cyclic thio substitued acylaminoacid amide derivatives NOVARTIS AG (CH) 2000-04-19 CN disclosed
US-6034136-A METALLOPROTEINASE INHIBITOR NOVARTIS AG (CH) 2000-03-07 US disclosed
EP-0966439-A1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES Novartis AG (CH) 1999-12-29 EP disclosed
EP-0719251-B1 BICYCLO (2.2.2) OCTANE DERIVATIVES CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTS BLACK JAMES FOUNDATION (GB) 1998-12-09 EP disclosed
WO-1998042662-A1 CERTAIN CYCLIC THIO SUBSTITUTED ACYLAMINOACID AMIDE DERIVATIVES NOVARTIS AG (CH) 1998-10-01 WO disclosed
EP-0849256-A1 AMIDE COMPOUNDS AND USE OF THE SAME Japan Tobacco Inc. (JP) 1998-06-24 EP disclosed
US-5514683-A LIGANDS FKOR CHOLECYSTOKININ OR GASTRIN RECEPTORS JAMES BLACK FOUNDATION LIMITED (GB) 1996-05-07 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 (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-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 HDAC8 2466/4885CTSS 1979/4885CTSK 1318/4885

“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.