SCHEMBL3579574

SCHEMBL3579574

CC1(C)OC(=O)C(C)(c2ccc(OS(=O)(=O)C(F)(F)F)cc2)O1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.36
HSD11B1 P28845 1/20 0.36
CXCR1 P25024 1/20 0.36
DRD2 P14416 2/20 0.33
DRD3 P35462 2/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
HTR1D P28221 2/20 0.32
HCAR3 P49019 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
CA1 P00915 3/20 0.31
CA2 P00918 3/20 0.31
CA9 Q16790 2/20 0.31
HTR1A P08908 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL576035 0.72 CA2 (0.50) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL12356798 0.70 DRD2 (0.40) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL28726740 0.70 CXCR2 (0.44) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL3590175 0.69 DRD2 (0.41) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL19482466 0.69 SLC6A4 (0.40) CXCR2CXCR1DRD2DRD3DRD1
SCHEMBL2170025 0.68 CXCR2 (0.45) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL2750188 0.67 CA2 (0.57) CXCR2HSD11B1CXCR1DRD2DRD3
SCHEMBL1997269 0.67 CA1 (0.57) CXCR2HSD11B1CXCR1CA1CA2
SCHEMBL6280229 0.67 TP53 (0.41) HSD11B1DRD2DRD3DRD4CA1
SCHEMBL19486878 0.67 CXCR2 (0.37) CXCR2HSD11B1CXCR1DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8440711-B2 2-aryl-2-fluoropropanoic acids and derivatives and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A. (IT) 2013-05-14 US disclosed
EP-2094638-B1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-08-08 EP disclosed
US-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA.R.MA S.P.A. (IT) 2010-03-25 US disclosed
EP-2094638-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2009-09-02 EP disclosed
WO-2008075184-A2 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2008-06-26 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-20100076034-A1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FPR2, FPR3, FPR1 CXCR2 33/4885HSD11B1 2412/4885CXCR1 744/4885

“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.