SCHEMBL4280404

SCHEMBL4280404

O=[C]CC[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.54
CTSS P25774 4/20 0.53
CTSK P43235 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 2/20 0.53
PPARA Q07869 2/20 0.52
PPARG P37231 1/20 0.52
FOLH1 Q04609 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.51
SIRT1 Q96EB6 1/20 0.51
CTRB1 P17538 2/20 0.50

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
SCHEMBL11685409 0.92 CTSL (0.56) TACR1CTSSCTSKCTSLCTSB
SCHEMBL8894483 0.92 TACR1 (0.54) TACR1CTSSCTSKCTSLCTSB
SCHEMBL4828679 0.88 CTSL (0.62) TACR1CTSSCTSKCTSLCTSB
SCHEMBL28723295 0.88 CTSL (0.62) TACR1CTSSCTSKCTSLCTSB
SCHEMBL28518198 0.88 TACR1 (0.53) TACR1CTSSCTSKCTSLCTSB
SCHEMBL8387978 0.85 FOLH1 (0.65) CTSSCTSKCTSLPPARAPPARG
SCHEMBL10421088 0.85 FOLH1 (0.62) TACR1CTSSCTSKCTSLPPARA
SCHEMBL1796250 0.84 CTSL (0.65) CTSSCTSKCTSLCTSBPPARA
SCHEMBL2487005 0.84 CTSL (0.65) CTSSCTSKCTSLCTSBPPARA
SCHEMBL1701581 0.84 CTSL (0.65) CTSSCTSKCTSLCTSBPPARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3034607-B1 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY CATALYST BIOSCIENCES INC (US) 2019-03-27 EP disclosed
EP-3034607-A1 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY Catalyst Biosciences, Inc. (US) 2016-06-22 EP disclosed
EP-2402437-B1 Protease screening methods and proteases identified thereby CATALYST BIOSCIENCES INC (US) 2016-06-01 EP disclosed
US-9290757-B2 Protease screening methods and proteases identified thereby CATALYST BIOSCIENCES, INC. (US) 2016-03-22 US disclosed
US-8663633-B2 Protease screening methods and proteases identified thereby TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2014-03-04 US disclosed
US-20130164820-A9 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY Torrey Pines Institute For Molecular Studies and Catalyst Biosciences, Inc. 2013-06-27 US disclosed
US-20120308551-A1 Protease screening methods and proteases identified thereby Torrey Pines Institute For Molecular Studies and Catalyst Biosciences, Inc. 2012-12-06 US disclosed
US-20120301945-A1 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY Molecular Studies and Catalyst Biosciences, Inc. 2012-11-29 US disclosed
US-8211428-B2 Protease screening methods and proteases identified thereby TORREY PINES INSTITUTE FOR MOLECULAR STUDIES (US) 2012-07-03 US disclosed
US-20090123452-A1 Protease screening methods and proteases identified thereby VERTEX PHARMACEUTICALS INCORPORATED 2009-05-14 US disclosed
EP-2046951-A2 PROTEASE SCREENING METHODS AND PROTEASES INDENTIFIED THERERBY Catalyst Biosciences, Inc. (US) 2009-04-15 EP disclosed
WO-2008045148-A9 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY CATALYST BIOSCIENCES INC (US) 2008-05-29 WO disclosed
WO-2008045148-A2 PROTEASE SCREENING METHODS AND PROTEASES IDENTIFIED THEREBY CATALYST BIOSCIENCES, INC. (US) 2008-04-17 WO disclosed
US-5747499-A CYCLOPENTAQUINAZOLINE COMPOUNDS CYCLOPENTAQUINAZOLINE COMPOUNDS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1998-05-05 US disclosed
EP-0268377-B1 GLUTAMIC ACID DERIVATIVES, PROCESSES AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL FORMULATIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1992-03-18 EP disclosed
EP-0160252-A2 Antibacterial compounds Takeda Chemical Industries, Ltd. (JP) 1985-11-06 EP disclosed