SCHEMBL4408253

SCHEMBL4408253

CC(=O)C(C)c1ccc(CC(C)C)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 5/20 0.79
CXCR2 P25025 5/20 0.79
PTGS1 P23219 3/20 0.79
PTGS2 P35354 3/20 0.79
LMNA P02545 2/20 0.79
CYP2C9 P11712 2/20 0.79
AKR1C3 P42330 2/20 0.79
ALB P02768 1/20 0.79
ESR1 P03372 1/20 0.79
ALOX5 P09917 1/20 0.79
RARB P10826 1/20 0.79
ADRB3 P13945 1/20 0.79
NFKB1 P19838 1/20 0.79
HTR2A P28223 1/20 0.79
NR1I3 Q14994 1/20 0.79
SLC22A6 Q4U2R8 1/20 0.79
CXCL8 P10145 1/20 0.79
TSHR P16473 1/20 0.79
AKR1C2 P52895 1/20 0.79
BLM P54132 1/20 0.79

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
SCHEMBL4483214 1.00 CXCR1 (0.79) CXCR1CXCR2PTGS1PTGS2LMNA
SCHEMBL4471196 1.00 CXCR1 (0.79) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL2889299 0.89 PTGS1 (0.93) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19732906 0.89 PTGS1 (0.93) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL3001 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439560 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Dexibuprofen SCHEMBL30091137 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL19439559 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
(R)-Ibuprophen SCHEMBL29057 0.88 PTGS1 (1.00) CXCR1CXCR2PTGS1PTGS2LMNA
Ibuprofen SCHEMBL8754799 0.88 PTGS1 (1.00) 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 98 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP claimed
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF PURDUE RESEARCH FOUNDATION 2024-07-18 US disclosed
US-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS TECHFIELDS PHARMA CO., LTD. (CN) 2024-07-11 US disclosed
EP-3737418-B1 POLYMERS WITH RIGID SPACING GROUPS COMPRISING BIOLOGICALLY ACTIVE COMPOUNDS SONY GROUP CORP (JP) 2024-02-28 EP disclosed
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF MEDICON PHARMACEUTICALS, INC. 2024-01-18 US disclosed
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions TECHFIELDS PHARMA CO., LTD. (CN) 2024-01-02 US disclosed
US-20230381323-A1 RELEASABLE CONJUGATES FISH & RICHARDSON PC 2023-11-30 US disclosed
US-11815475-B2 Method for identifying molecular structure THE UNIVERSITY OF TOKYO (JP) 2023-11-14 US disclosed
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions PREMIER RESEARCH INTERNATIONAL, LLC 2023-11-14 US disclosed
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
US-7745608-B2 Modified iRNA agents ALNYLAM PHARMACEUTICALS, INC. (US) 2010-06-29 US disclosed
WO-2010048585-A2 OLIGOMERIC COMPOUNDS AND METHODS ISIS PHARMACEUTICALS, INC. (US) 2010-04-29 WO disclosed
US-20100021940-A1 Method for Determining the Activity of a Protease in a Sample ASTRAZENECA AB (SE) 2010-01-28 US disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 US disclosed
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies NICOX SA (FR) 2009-04-09 US disclosed
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS BEZWADA BIOMEDICAL, LLC (US) 2009-03-19 US disclosed
EP-1581474-B1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE SPA (IT) 2008-08-27 EP disclosed
WO-2007088123-A2 USE OF NITROOXYDERIVATIVE OF DRUG FOR THE TREATMENT OF MUSCULAR DYSTROPHIES NICOX S.A. (FR) 2007-08-09 WO disclosed
EP-1581474-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES Dompé S.P.A. (IT) 2005-10-05 EP disclosed
WO-2004052830-A1 CHIRAL ARYLKETONES IN THE TREATEMENT OF NEUTROPHIL-DEPENDENT INFLAMMATORY DESEASES DOMPE S.P.A. (IT) 2004-06-24 WO 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 (10 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-20240226084-A9 HIGH PENETRATION PRODRUG COMPOSITIONS AND PHARMACEUTICAL COMPOSITION THEREOF FOR TREATMENT OF PULMONARY CONDITIONS HRH4, HCAR2, PAH CXCR1 739/4885CXCR2 956/4885PTGS1 92/4885
US-11813256-B2 High penetration prodrug compositions and pharmaceutical compositon thereof for treatment of pulmonary conditions CPA3, PAH, HCAR2 CXCR1 1718/4885CXCR2 1218/4885PTGS1 95/4885
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF AR, CYP17A1, KLK3 CXCR1 2048/4885CXCR2 1948/4885PTGS1 1586/4885
US-20090076174-A1 CONTROL RELEASE OF BIOLOGICALLY ACTIVE COMPOUNDS FROM MULTI-ARMED OLIGOMERS MME, CTSA, ALG1 CXCR1 4812/4885CXCR2 4760/4885PTGS1 3338/4885
US-20240238458-A1 COMPOUNDS TARGETING FIBROBLAST-ACTIVATION PROTEIN AND METHODS OF USE THEREOF FAP, FIBP, FGFR1 CXCR1 982/4885CXCR2 523/4885PTGS1 1983/4885
US-20100021940-A1 Method for Determining the Activity of a Protease in a Sample CTRL, PRSS1, PREP CXCR1 1352/4885CXCR2 2786/4885PTGS1 1181/4885
US-20230381323-A1 RELEASABLE CONJUGATES GUSB, ABCB11, UGT2B7 CXCR1 3670/4885CXCR2 3060/4885PTGS1 2524/4885
US-20240016799-A1 ANTI-INFLAMMATORY, ANTI-CANCER, AND ANTI-ANGIOGENIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF MAKING AND USING THEREOF VEGFA, HPGDS, ALOX5 CXCR1 595/4885CXCR2 265/4885PTGS1 9/4885
US-20090093510-A1 Use of Nitrooxyderivatives of Drug for the Treatment of Muscular Dystrophies TNNC1, CPT1B, SMN1; SMN2 CXCR1 4489/4885CXCR2 3567/4885PTGS1 292/4885
US-11857545-B2 High penetration prodrug compositions and pharmaceutical composition thereof for treatment of pulmonary conditions HRH4, HCAR2, PAH CXCR1 739/4885CXCR2 956/4885PTGS1 92/4885

“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.