Indomethacin

Indomethacin

SCHEMBL1394949

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

nearest known ligand 0.98

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 9/20 0.98
PTGS1 known ✓ P23219 4/20 0.98
AKR1C3 P42330 7/20 0.98
AKR1C2 P52895 6/20 0.98
HIF1A Q16665 3/20 0.98
ABCB1 P08183 2/20 0.98
LMNA P02545 2/20 0.98
CYP1A2 P05177 2/20 0.98
CYP2D6 P10635 2/20 0.98
CYP2C9 P11712 2/20 0.98
GLO1 Q04760 2/20 0.98
NPSR1 Q6W5P4 2/20 0.98
AKR1C4 P17516 2/20 0.98
AKR1C1 Q04828 2/20 0.98
KDM4E B2RXH2 1/20 0.98
MEN1 O00255 1/20 0.98
PTGES O14684 1/20 0.98
ABCC3 O15438 1/20 0.98
ABCC4 O15439 1/20 0.98
ABCB11 O95342 1/20 0.98

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 SCHEMBL3518614 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29525957 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL9300 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29353712 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23391006 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL8352438 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL6356562 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL1817813 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL22472310 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23632959 0.98 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 62 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117946095-A Indometacin prodrug compound activated by active oxygen as well as preparation method and application thereof 东华大学 2024-04-30 CN claimed
EP-0047358-B1 INDOL ACETIC DERIVATIVES, PROCESS FOR PRODUCING THE SAME AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME A. Nattermann & Cie. GmbH (DE) 1984-09-19 EP claimed
EP-0047358-A1 Indol acetic derivatives, process for producing the same and pharmaceutical compositions comprising the same A. Nattermann & Cie. GmbH (DE) 1982-03-17 EP claimed
CN-117946095-A Indometacin prodrug compound activated by active oxygen as well as preparation method and application thereof 东华大学 2024-04-30 CN disclosed
CN-111004167-B Salts and prodrugs of 1-methyl-D-tryptophan 新联基因公司 2024-03-22 CN disclosed
CN-113501773-B Beta-ketone sulfoxide derivative of carboxylic acid drugs and preparation method and application thereof 宁夏大学 2022-07-01 CN disclosed
CN-113501773-A Beta-ketone sulfoxide derivative of carboxylic acid drugs and preparation method and application thereof 宁夏大学 2021-10-15 CN disclosed
CN-108938710-B Application of tobacco beans or extract thereof in preparation of medicine for treating and/or preventing arthritis 澳门大学 2021-10-08 CN disclosed
CN-112939828-A Beta-ketone sulfoxide derivative of carboxylic acid drugs and preparation method and application thereof 宁夏大学 2021-06-11 CN disclosed
CN-111961043-B Acetazolamide derivative, preparation method thereof and application thereof in preparation of drugs for treating coronary heart disease 东南大学 2021-01-15 CN disclosed
CN-111961043-A Acetazolamide derivative, preparation method thereof and application thereof in preparation of drugs for treating coronary heart disease 东南大学 2020-11-20 CN disclosed
US-4464379-A Indol acetic acid derivatives and anti-inflamatory and related uses thereof A. NATTERMANN & CIE GMBH (DE) 1984-08-07 US disclosed
US-4412994-A AMINE COMPOUNDS CONTAINING THE ACYL RESIDUE OF INDOMETHACIN AS A SUBSTITUENT INTERX RESEARCH CORPORATION (US) 1983-11-01 US disclosed
US-4407804-A SYNERGISTIC E. I. DU PONT DE NEMOURS AND COMPANY (US) 1983-10-04 US disclosed
US-4381307-A Soft tertiary amine esters of bio-affecting carboxylic acids MERCK & CO., INC. (US) 1983-04-26 US disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US disclosed
EP-0051278-A1 Soft tertiary amine esters of bio-affecting carboxylic acids, processes for preparing and a pharmaceutical composition containing the same MERCK & CO. INC. (US) 1982-05-12 EP disclosed
EP-0047358-A1 Indol acetic derivatives, process for producing the same and pharmaceutical compositions comprising the same A. Nattermann & Cie. GmbH (DE) 1982-03-17 EP disclosed
EP-0039051-A2 Mannich-base hydroxamic acid prodrugs for the improved bioavailability of non-steroidal anti-inflammatory agents, a process for preparing and a pharmaceutical composition containing them MERCK & CO. INC. (US) 1981-11-04 EP disclosed
US-4206220-A N-/1-/P-CHLOROBENZOYL/-5-METHOXY-2-METHYL-3-INDOLYLACETYLOXY/-N,N -DIHYDROCARBYLAMINE INTERX RESEARCH CORPORATION (US) 1980-06-03 US disclosed