Indomethacin

Indomethacin

SCHEMBL4880273

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

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 SCHEMBL29353712 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL9300 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL29525957 0.99 PTGS2 (1.00) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23632959 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL8352438 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL1817813 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL22472310 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL3860125 0.98 PTGS2 (0.98) PTGS2AKR1C3AKR1C2PTGS1HIF1A
Indomethacin SCHEMBL23391006 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1160129-C Process for preparing medicines with no or low loxic by-effect on gastrointestinal system 王 晓 2004-08-04 CN claimed
CN-1166963-A Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 1997-12-10 CN claimed
CN-1166320-A Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 1997-12-03 CN claimed
CN-101474197-B Application of coumpound baicalin-zinc in preparing medicament for resisting peptic ulcer KUNMING MEDICAL COLLEGE 2011-04-06 CN disclosed
CN-101474197-A Application of coumpound baicalin-zinc in preparing medicament for resisting peptic ulcer KUNMING MEDICAL COLLEGE (CN) 2009-07-08 CN disclosed
US-20080039522-A1 Composition Containing a Complex Comprising a Metal Ion and a Carboxylate Ligand Having Anti-Inflammatory Activity MEDICAL THERAPIES LIMITED (AU) 2008-02-14 US disclosed
WO-2007109845-A1 PROPHYLAXIS OR TREATMENT OF DIABETES MEDICAL THERAPIES LIMITED (AU) 2007-10-04 WO disclosed
WO-2007110755-A1 PROPHYLAXIS OR TREATMENT OF CARDIOVASCULAR INFLAMMATION MEDICAL THERAPIES LIMITED (AU) 2007-10-04 WO disclosed
WO-2007110745-A1 COMBINATION THERAPY FOR TREATMENT OF CANCER MEDICAL THERAPIES LIMITED (AU) 2007-10-04 WO disclosed
EP-1734945-A4 A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY MEDICAL THERAPIES LTD (AU) 2007-10-03 EP disclosed
WO-2007026240-A1 SUNSCREEN AND COSMETIC COMPOSITIONS FOR PROPHYLAXIS OR TREATMENT OF SKIN CANCERS MEDICAL THERAPIES LIMITED (AU) 2007-03-08 WO disclosed
EP-1734945-A1 A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY THE UNIVERSITY OF SYDNEY (AU) 2006-12-27 EP disclosed
WO-2006099685-A1 METHOD FOR THE PROPHYLAXIS OR TREATMENT OF CARCINOMAS MEDICAL THERAPIES LIMITED (AU) 2006-09-28 WO disclosed
CN-1265799-C Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 2006-07-26 CN disclosed
WO-2005094809-A1 A COMPOSITION CONTAINING A COMPLEX COMPRISING A METAL ION AND A CARBOXYLATE LIGAND HAVING ANTI-INFLAMMATORY ACTIVITY MEDICAL THERAPIES LIMITED (AU) 2005-10-13 WO disclosed
CN-1076195-C Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 2001-12-19 CN disclosed
CN-1166963-A Composition containing zinc compound and p-acetaminophenyl acetic acid XIA XIAOLIN (CN) 1997-12-10 CN disclosed
CN-1166320-A Composite of zinc containing compound and glutamines XIA XIAOLIN (CN) 1997-12-03 CN 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-20080039522-A1 Composition Containing a Complex Comprising a Metal Ion and a Carboxylate Ligand Having Anti-Inflammatory Activity MIF, TNF, LITAF PTGS2 280/4885PTGS1 150/4885AKR1C3 2722/4885

“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.