SCHEMBL678111

SCHEMBL678111

COc1ccc2c(c1)c(CC(=O)NCCc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 16/20 1.00
CA12 O43570 1/20 0.79
CA1 P00915 1/20 0.79
CA2 P00918 1/20 0.79
CA4 P22748 1/20 0.79
CA9 Q16790 1/20 0.79
PTGS1 P23219 2/20 0.76
HRH4 Q9H3N8 1/20 0.76

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
SCHEMBL30036360 1.00 PTGS2 (1.00) PTGS2CA12CA1CA2CA4
SCHEMBL17378101 0.91 PTGS2 (0.84) PTGS2CA12CA1CA2CA4
SCHEMBL5106356 0.91 PTGS2 (0.86) PTGS2PTGS1
SCHEMBL838523 0.90 PTGS2 (0.86) PTGS2PTGS1HRH4
SCHEMBL17378100 0.88 PTGS2 (0.79) PTGS2CA12CA1CA2CA4
SCHEMBL17378079 0.88 PTGS2 (0.79) PTGS2CA12CA1CA2CA4
SCHEMBL839556 0.88 PTGS2 (0.86) PTGS2PTGS1HRH4
SCHEMBL17369608 0.88 PTGS2 (0.79) PTGS2CA12CA1CA2CA4
SCHEMBL5797033 0.88 PTGS2 (1.00) PTGS2PTGS1HRH4
SCHEMBL14346071 0.88 PTGS2 (0.81) PTGS2PTGS1HRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114126617-A Piezoelectric agonists for preventing or reversing abnormal amyloid deposition 东芬兰大学 2022-03-01 CN disclosed
WO-2014176460-A1 METHODS OF TREATING BEHAVIORIAL AND/OR MENTAL DISORDERS CHAU DAVID T (US) 2014-10-30 WO disclosed
US-8486922-B2 Composition CHEN CHIEN-HUNG (TW) 2013-07-16 US disclosed
US-20120183600-A1 NOVEL COMPOSITION FOR TREATING METABOLIC SYNDROME AND OTHER CONDITIONS CHEN CHIEN-HUNG (US) 2012-07-19 US disclosed
US-20110281829-A1 NOVEL COMPOSITION IPINTL, LLC (US) 2011-11-17 US disclosed
US-7628975-B2 kits for discriminating between COX-1 and COX-2 activity; screening for a tumor, monitoring anticancer treatment or antiinflammatory treatment; less invasive; 2-arachidonylglycerol is a substrate of the COX-2 enzyme, but not COX-1 VANDERBILT UNIVERSITY (US) 2009-12-08 US disclosed
EP-1307585-B1 COMPOSITIONS AND METHODS FOR DETECTING AND QUANTIFYING COX-2 ACTIVITY AND 2-ARACHIDONYLGLYCEROL METABOLITES UNIV VANDERBILT (US) 2009-01-21 EP disclosed
EP-1307538-B1 DETECTION OF COX-2 ACTIVITY AND ANANDAMIDE METABOLITES UNIV VANDERBILT (US) 2009-01-07 EP disclosed
US-7189504-B2 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylglycerol metabolites VANDERBILT UNIVERSITY (US) 2007-03-13 US disclosed
US-20060110786-A1 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylgycerol metabolites VANDERBILT UNIVERSITY 2006-05-25 US disclosed
US-20020106707-A1 Compositions and methods for detecting and quantifying COX-2 activity and anandamide metabolites NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-08-08 US disclosed
US-20020064804-A1 Compositions and methods for detecting and quantifying COX-2 activity and 2-arachidonylglycerol metabolites VANDERBILT UNIVERSITY 2002-05-30 US disclosed