Ibuprofen

Ibuprofen

SCHEMBL42909

CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.CC(C)Cc1ccc(C(C)C(=O)[O-])cc1.[Al+3]

nearest known ligand 0.70

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

PTGS1PTGS2

The experimentally established mechanism targets of Ibuprofen. 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
PTGS1 known ✓ P23219 3/20 0.70
PTGS2 known ✓ P35354 3/20 0.70
CXCR1 P25024 5/20 0.70
CXCR2 P25025 5/20 0.70
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
AKR1C3 P42330 2/20 0.70
ALB P02768 1/20 0.70
ESR1 P03372 1/20 0.70
ALOX5 P09917 1/20 0.70
RARB P10826 1/20 0.70
ADRB3 P13945 1/20 0.70
NFKB1 P19838 1/20 0.70
HTR2A P28223 1/20 0.70
NR1I3 Q14994 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
CXCL8 P10145 1/20 0.70
TSHR P16473 1/20 0.70
AKR1C2 P52895 1/20 0.70
BLM P54132 1/20 0.70

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
Ibuprofen SCHEMBL18205062 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL1586498 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL1068566 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL8076351 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL139269 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL5971384 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL30222251 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL9321827 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL1179006 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL465258 0.96 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA

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

Appears in 3003 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118141602-A Lacrimal canaliculus embolism 上海曙瑞科技有限公司 2024-06-07 CN claimed
EP-4335413-A2 PROSTHETIC TISSUE VALVES Cormatrix Cardiovascular, Inc. (US) 2024-03-13 EP claimed
WO-2023212179-A2 THERAPEUTIC COMPOSITIONS FOR SKIN DISORDERS AND WOUND REPAIR UNIVERSITY OF MIAMI (US) 2023-11-02 WO claimed
US-20220110979-A1 FIBROBLAST REGENERATIVE CELLS FIGENE, LLC 2022-04-14 US claimed
EP-3908297-A1 FIBROBLAST REGENERATIVE CELLS Figene, LLC (US) 2021-11-17 EP claimed
EP-3279663-B1 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES BRIGHAM & WOMENS HOSPITAL INC (US) 2021-07-28 EP claimed
CN-107085113-B Use of gelsolin for diagnosis and treatment of inflammatory diseases 布赖汉姆妇女医院有限公司 2020-07-17 CN claimed
WO-2020146874-A1 FIBROBLAST REGENERATIVE CELLS FIGENE, LLC (US) 2020-07-16 WO claimed
EP-3279663-A1 USE OF GELSOLIN TO DIAGNOSE AND TREAT INFLAMMATORY DISEASES The Brigham and Women's Hospital, Inc. (US) 2018-02-07 EP claimed
EP-3274006-A1 VASCULAR CASTED PROSTHESES AND METHODS OF FORMING SAME FOR TREATING BIOLOGICAL TISSUE Cormatrix Cardiovascular, Inc. (US) 2018-01-31 EP claimed
EP-1003501-A1 MEANS OF ASCERTAINING AN INDIVIDUAL'S RISK PROFILE FOR ATHEROSCLEROTIC DISEASE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2000-05-31 EP claimed
WO-1998043630-A1 MEANS OF ASCERTAINING AN INDIVIDUAL'S RISK PROFILE FOR ATHEROSCLEROTIC DISEASE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 1998-10-08 WO claimed
US-4923898-A Analgesic, anti-inflammatory and skeletal muscle relaxant compositions comprising non-steroidal anti-inflammatory drugs and musculoskeletal relaxants and methods of using same ANALGESIC ASSOCIATES (US) 1990-05-08 US claimed
EP-0137668-B1 IBUPROFEN, FLURBIPROFEN AND THEIR THERAPEUTIC USE THE UPJOHN COMPANY (US) 1990-01-17 EP claimed
US-4780463-A CONTAINING PROPIONIC ACID COMPOUNDS ANALGESIC ASSOCIATES (US) 1988-10-25 US claimed
US-4722938-A COMBINED WITH NON-STEROIDAL ANTIINFLAMMATORY DRUG ANALGESIC ASSOCIATES (US) 1988-02-02 US claimed
EP-0205492-A1 ANALGESIC, ANTI-INFLAMMATORY AND SKELETAL MUSCLE RELAXANT COMPOSITIONS SUNSHINE, Abraham (US) 1986-12-30 EP claimed
WO-1986003681-A1 ANALGESIC, ANTI-INFLAMMATORY AND SKELETAL MUSCLE RELAXANT COMPOSITIONS SUNSHINE ABRAHAM 1986-07-03 WO claimed
US-4361580-A TASTELESS ANTIINFLAMMATORY AGENT THE UPJOHN MANUFACTURING COMPANY (US) 1982-11-30 US claimed
US-4145440-A WITH SORBITOL, GLYCERIN AND SURFACTANT; GEL RESISTANT, NON-CAKING; ANTIINFLAMMATORY THE UPJOHN COMPANY (US) 1979-03-20 US claimed