Ibuprofen

Ibuprofen

SCHEMBL997451

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

nearest known ligand 0.68

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 0.68
PTGS2 known ✓ P35354 3/20 0.68
CXCR1 P25024 5/20 0.68
CXCR2 P25025 5/20 0.68
LMNA P02545 2/20 0.68
CYP2C9 P11712 2/20 0.68
AKR1C3 P42330 2/20 0.68
ALB P02768 1/20 0.68
ESR1 P03372 1/20 0.68
ALOX5 P09917 1/20 0.68
RARB P10826 1/20 0.68
ADRB3 P13945 1/20 0.68
NFKB1 P19838 1/20 0.68
HTR2A P28223 1/20 0.68
NR1I3 Q14994 1/20 0.68
SLC22A6 Q4U2R8 1/20 0.68
CXCL8 P10145 1/20 0.68
TSHR P16473 1/20 0.68
AKR1C2 P52895 1/20 0.68
BLM P54132 1/20 0.68

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 SCHEMBL8081018 1.00 CXCR1 (0.68) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL17373646 1.00 CXCR1 (0.68) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL139713 1.00 CXCR1 (0.68) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL8076351 0.98 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL139269 0.98 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL5971384 0.94 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL9321827 0.94 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL30222251 0.94 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL465258 0.94 CXCR1 (0.70) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL1179006 0.94 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

Claimed or disclosed in 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2445486-A2 SODIUM IBUPROFEN TABLETS AND METHODS OF MANUFACTURING PHARMACEUTICAL COMPOSITIONS INCLUDING SODIUM IBUPROFEN Wyeth LLC (US) 2012-05-02 EP claimed
WO-2011005478-A2 SODIUM IBUPROFEN TABLETS AND METHODS OF MANUFACTURING PHARMACEUTICAL COMPOSITIONS INCLUDING SODIUM IBUPROFEN WYETH LLC (US) 2011-01-13 WO claimed
US-20100323005-A1 Sodium Ibuprofen Tablets and Methods of Manufacturing Pharmaceutical Compositions Including Sodium Ibuprofen WYETH LLC (US) 2010-12-23 US claimed
CN-100592909-C Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG 2010-03-03 CN claimed
US-20080020042-A1 Dosage form of sodium ibuprofen RHOA INDUSTRIES, AN INDIAN PARTNERSHIP FIRM (IN) 2008-01-24 US claimed
CN-1705470-A Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2005-12-07 CN claimed
EP-1410793-B1 Delivery form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2005-11-16 EP claimed
US-20040102522-A1 Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2004-05-27 US claimed
WO-2004035024-A1 DOSAGE FORM OF SODIUM IBUPROFEN BAYER CONSUMER CARE AG (CH) 2004-04-29 WO claimed
CN-104922084-B Sodium ibuprofen tablet and method for preparing pharmaceutical composition containing sodium ibuprofen 惠氏有限责任公司 2020-01-14 CN disclosed
EP-2291233-B1 METHOD FOR DRY GRANULATION ATACAMA LABS OY (FI) 2019-09-04 EP disclosed
US-10391072-B2 High content sodium ibuprofen granules, their preparation and their use in preparing non-effervescent solid dosage forms SI GROUP, INC. (US) 2019-08-27 US disclosed
US-10265272-B2 Method and apparatus for dry granulation ATACAMA LABS OY (FI) 2019-04-23 US disclosed
CN-104884048-B High-content Sodium ibuprofen particle, its preparation and its preparing the purposes in non-effervescent solid dosage forms SI集团有限公司 2018-11-23 CN disclosed
CN-1705470-A Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2005-12-07 CN disclosed
CN-1705470-A Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2005-12-07 CN disclosed
US-20040102522-A1 Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2004-05-27 US disclosed
US-20040102522-A1 Dosage form of sodium ibuprofen BAYER CONSUMER CARE AG (CH) 2004-05-27 US disclosed
WO-2004035024-A1 DOSAGE FORM OF SODIUM IBUPROFEN BAYER CONSUMER CARE AG (CH) 2004-04-29 WO disclosed
WO-2004035024-A1 DOSAGE FORM OF SODIUM IBUPROFEN BAYER CONSUMER CARE AG (CH) 2004-04-29 WO disclosed