Diclofenac

Diclofenac

SCHEMBL1244510

O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.O=C([O-])Cc1ccccc1Nc1c(Cl)cccc1Cl.[Na+].[Na+]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Diclofenac. 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 5/20 1.00
PTGS1 known ✓ P23219 2/20 1.00
CYP2C9 P11712 2/20 1.00
CYP3A4 P08684 1/20 1.00
GAA P10253 1/20 1.00
TSHR P16473 1/20 1.00
AKR1C3 P42330 1/20 1.00
BLM P54132 1/20 1.00
HIF1A Q16665 1/20 1.00
TTR P02766 3/20 0.73
CXCL8 P10145 3/20 0.73
AKR1B10 O60218 1/20 0.73
UGT1A9 O60656 1/20 0.73
TRPA1 O75762 1/20 0.73
ABCB11 O95342 1/20 0.73
MT-CO2 P00403 1/20 0.73
ALB P02768 1/20 0.73
UGT1A6 P19224 1/20 0.73
UGT1A1 P22309 1/20 0.73
CXCR1 P25024 1/20 0.73

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
Diclofenac SCHEMBL29350388 1.00 PTGS2 (1.00) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL24009 1.00 PTGS2 (1.00) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL1232980 0.98 PTGS2 (0.97) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL6509233 0.98 PTGS2 (0.97) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL7083032 0.98 PTGS2 (0.97) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL21048102 0.98 PTGS2 (0.97) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL40784 0.97 PTGS2 (0.94) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL27229363 0.97 PTGS2 (0.94) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL29385384 0.97 PTGS2 (0.94) PTGS2PTGS1CYP2C9CYP3A4GAA
Diclofenac SCHEMBL1650617 0.97 PTGS2 (0.94) PTGS2PTGS1CYP2C9CYP3A4GAA

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240148889-A1 STABILIZED TRIOXACARCIN ANTIBODY DRUG CONJUGATES AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2024-05-09 US disclosed
US-20210338709-A1 USES OF MODIFIED RNA ENCODING RETINALDEHYDE DEHYDROGENASE PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2021-11-04 US disclosed
US-10639381-B2 Trioxacarcins, trioxacarcin#antibody conjugates, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2020-05-05 US disclosed
EP-2922575-B1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF HARVARD COLLEGE (US) 2019-06-26 EP disclosed
US-20180244700-A1 METHODS OF TREATING A FATTY ACID AMIDE HYDROLASE-MEDIATED CONDITION INFINITY PHARMACEUTICALS, INC. 2018-08-30 US disclosed
US-20180221504-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2018-08-09 US disclosed
US-10004749-B2 Composition comprising a therapeutic agent and a respiratory stimulant and methods for the use thereof HSU JOHN (US) 2018-06-26 US disclosed
US-9951089-B2 Methods of treating a fatty acid amide hydrolase-mediated condition INFINITY PHARMACEUTICALS, INC. (US) 2018-04-24 US disclosed
US-9775915-B2 Trioxacarcins, trioxacarcin-antibody conjugates, and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-10-03 US disclosed
US-9611287-B2 Trioxacarcins and uses thereof PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2017-04-04 US disclosed
US-6589973-B1 A clear, stable novel pharmaceutical preparation of selective cyclooxygenase II inhibitors (COX 2) inhibitors in the injection form for pain and inflammation THEMIS MEDICARE LTD. (IN) 2003-07-08 US disclosed
US-20030114444-A1 [[2-(Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives for the treatment of pain WYETH 2003-06-19 US disclosed
EP-1311242-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS New River Pharmaceuticals, Inc. (US) 2003-05-21 EP disclosed
WO-2003035063-A1 NOVEL PREPARATION OF SELECTIVE CYCLOOXYGENASE II INHIBITORS PATEL DINESH SHANTILAL (IN) 2003-05-01 WO disclosed
WO-2002034237-A1 ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS NEW RIVER PHARMACEUTICALS, INC. (US) 2002-05-02 WO disclosed
EP-0805684-A4 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN UNIV TEXAS (US) 1998-08-05 EP disclosed
WO-1998013073-A1 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDs AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1998-04-02 WO disclosed
EP-0805684-A2 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 1997-11-12 EP disclosed
WO-1996022780-A1 METHODS OF ENHANCING THE THERAPEUTIC ACTIVITY OF NSAIDS AND COMPOSITIONS OF ZWITTERIONIC PHOSPHOLIPIDS USEFUL THEREIN THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 1996-08-01 WO disclosed
US-4362738-A ANTIINFLAMMATORIES DR. KARL THOMAE GMBH (DE) 1982-12-07 US 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 (6 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-20180244700-A1 METHODS OF TREATING A FATTY ACID AMIDE HYDROLASE-MEDIATED CONDITION FAAH, FAAH2, FASN PTGS2 377/4885PTGS1 399/4885CYP2C9 738/4885
US-20240148889-A1 STABILIZED TRIOXACARCIN ANTIBODY DRUG CONJUGATES AND USES THEREOF ABCB4, PCSK7, F12 PTGS2 4570/4885PTGS1 4271/4885CYP2C9 467/4885
US-20030114444-A1 [[2-(Amino-3,4-dioxo-1-cyclobuten-1-yl)amino]alkyl]-acid derivatives for the treatment of pain OPRD1, OPRL1, OPRK1 PTGS2 111/4885PTGS1 116/4885CYP2C9 1576/4885
US-10004749-B2 Composition comprising a therapeutic agent and a respiratory stimulant and methods for the use thereof OPRM1, OPRL1, OPRK1 PTGS2 1133/4885PTGS1 552/4885CYP2C9 2000/4885
US-10639381-B2 Trioxacarcins, trioxacarcin#antibody conjugates, and uses thereof C9, CES1, LYPLA1 PTGS2 3887/4885PTGS1 3221/4885CYP2C9 219/4885
US-20180221504-A1 TRIOXACARCINS, TRIOXACARCIN-ANTIBODY CONJUGATES, AND USES THEREOF C9, CES1, LYPLA1 PTGS2 3912/4885PTGS1 3258/4885CYP2C9 221/4885

“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.