SCHEMBL6740243

SCHEMBL6740243

CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](C)C(=O)NO)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.79
PDE4A P27815 1/20 0.79
CXCR1 P25024 5/20 0.60
CXCR2 P25025 5/20 0.60
ALOX5 P09917 2/20 0.57
PTGS1 P23219 3/20 0.57
PTGS2 P35354 3/20 0.57
LMNA P02545 2/20 0.57
CYP2C9 P11712 2/20 0.57
AKR1C3 P42330 2/20 0.57
ALB P02768 1/20 0.57
ESR1 P03372 1/20 0.57
RARB P10826 1/20 0.57
ADRB3 P13945 1/20 0.57
NFKB1 P19838 1/20 0.57
HTR2A P28223 1/20 0.57
NR1I3 Q14994 1/20 0.57
SLC22A6 Q4U2R8 1/20 0.57
CXCL8 P10145 1/20 0.57
TSHR P16473 1/20 0.57

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
SCHEMBL6740240 1.00 CHRM1 (0.79) CHRM1PDE4ACXCR1CXCR2ALOX5
Ibuproxam SCHEMBL10428212 0.89 CHRM1 (1.00) CHRM1PDE4ACXCR1CXCR2ALOX5
Ibuproxam SCHEMBL24896 0.89 CHRM1 (1.00) CHRM1PDE4ACXCR1CXCR2ALOX5
Ibuproxam SCHEMBL8722617 0.89 CHRM1 (1.00) CHRM1PDE4ACXCR1CXCR2ALOX5
SCHEMBL24045781 0.86 CXCR1 (0.68) CHRM1PDE4ACXCR1CXCR2ALOX5
SCHEMBL27807966 0.86 CXCR1 (0.68) CHRM1PDE4ACXCR1CXCR2ALOX5
SCHEMBL23763764 0.84 CHRM1 (0.73) CHRM1PDE4ACXCR1CXCR2ALOX5
Ibuproxam SCHEMBL28086418 0.83 CHRM1 (0.88) CHRM1PDE4ACXCR1CXCR2ALOX5
SCHEMBL24758399 0.81 CHRM1 (0.69) CHRM1PDE4ACXCR1CXCR2ALOX5
SCHEMBL24045916 0.81 MAPT (0.82) CHRM1PDE4ACXCR1CXCR2ALOX5

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US claimed
JP-2002541138-A 2002-12-03 JP claimed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP claimed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 WO claimed
US-6689771-B2 TREATMENT OF RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, PERIODONTITIS, GINGIVITIS, CORNEAL ULCERATION, SOLID TUMOR GROWTH BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-02-10 US disclosed
US-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase DUAN JINGWU (US) 2003-02-13 US disclosed
US-6376665-B1 ANTIARTHRITIC AGENTS, ANTIINFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-04-23 US disclosed
EP-1165500-A1 AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES,TNF-ALPHA,AND AGGRECANASE Du Pont Pharmaceuticals Company (US) 2002-01-02 EP disclosed
WO-2000059874-A1 NOVEL AMIDE DERIVATIVES AS INHIBITORS OF MATRIX METALLOPROTEINASES, TNF-α, AND AGGRECANASE DU PONT PHARMACEUTICALS COMPANY (US) 2000-10-12 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 (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-20030032803-A1 Novel amide derivatives as inhibitors of matrix metalloproteinases, TNF-alpha, and aggrecanase TNF, MMP1, ADAMTS1 CHRM1 2797/4885PDE4A 1951/4885CXCR1 1389/4885

“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.