Indomethacin

Indomethacin

SCHEMBL1307338

COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccc(Cl)cc1.COc1ccc2cc([C@H](C)C(=O)[O-])ccc2c1.[Na+]

nearest known ligand 0.75

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Indomethacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 known ✓ P35354 10/20 0.75
PTGS1 known ✓ P23219 3/20 0.75
AKR1C3 P42330 7/20 0.75
AKR1C2 P52895 6/20 0.75
HIF1A Q16665 3/20 0.75
AKR1C4 P17516 2/20 0.75
AKR1C1 Q04828 2/20 0.75
ABCB1 P08183 2/20 0.75
GLO1 Q04760 2/20 0.75
LMNA P02545 2/20 0.75
CYP1A2 P05177 2/20 0.75
CYP2D6 P10635 2/20 0.75
CYP2C9 P11712 2/20 0.75
NPSR1 Q6W5P4 2/20 0.75
KDM4E B2RXH2 1/20 0.75
MEN1 O00255 1/20 0.75
PTGES O14684 1/20 0.75
ABCC3 O15438 1/20 0.75
ABCC4 O15439 1/20 0.75
ABCB11 O95342 1/20 0.75

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
Indomethacin SCHEMBL356273 0.92 PTGS2 (0.79) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL11570993 0.92 PTGS2 (0.79) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL3518614 0.87 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29525957 0.87 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29353712 0.87 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL9300 0.87 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23391006 0.86 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL8352438 0.86 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL1817813 0.86 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL6554617 0.86 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1104296-B1 BIOIMPLANT FORMULATION PEPTECH ANIMAL HEALTH PTY LTD (AU) 2012-06-13 EP claimed
CN-1243543-C Biological implant formulation PEPTECH LTD (AU) 2006-03-01 CN claimed
US-6913761-B1 Bioimplant formulation PEPTECH LIMITED (AU) 2005-07-05 US claimed
EP-1104296-A4 BIOIMPLANT FORMULATION PEPTECH LTD (AU) 2004-11-10 EP claimed
CN-1310623-A Biological implant formulation PEPTECH LTD (AU) 2001-08-29 CN claimed
EP-1104296-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2001-06-06 EP claimed
WO-2000004897-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2000-02-03 WO claimed
EP-1104296-B1 BIOIMPLANT FORMULATION PEPTECH ANIMAL HEALTH PTY LTD (AU) 2012-06-13 EP disclosed
US-8052982-B2 Bioimplant formulation comprising lecithin and stearin PEPTECH ANIMAL HEALTH PTY LIMITED (AU) 2011-11-08 US disclosed
US-20080031956-A1 Bioimplant formulation PEPTECH LIMITED (AU) 2008-02-07 US disclosed
CN-1243543-C Biological implant formulation PEPTECH LTD (AU) 2006-03-01 CN disclosed
CN-1736487-A Bioimplant formulation PEPTECH LTD (AU) 2006-02-22 CN disclosed
US-20050276854-A1 Bioimplant formulation PEPTECH LIMITED (AU) 2005-12-15 US disclosed
US-6913761-B1 Bioimplant formulation PEPTECH LIMITED (AU) 2005-07-05 US disclosed
EP-1104296-A4 BIOIMPLANT FORMULATION PEPTECH LTD (AU) 2004-11-10 EP disclosed
CN-1310623-A Biological implant formulation PEPTECH LTD (AU) 2001-08-29 CN disclosed
EP-1104296-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2001-06-06 EP disclosed
WO-2000004897-A1 BIOIMPLANT FORMULATION PEPTECH LIMITED (AU) 2000-02-03 WO disclosed