SCHEMBL3575250

SCHEMBL3575250

CN(O)C(=O)[C@@](C)(F)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.43
CXCR1 P25024 1/20 0.42
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
HSD11B1 P28845 2/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
KIF11 P52732 1/20 0.36
RAB9A P51151 2/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3582579 0.83 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL1819925 0.83 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL3574727 0.83 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575588 0.80 CXCR2 (0.46) CXCR2CXCR1CA1CA2CA9
SCHEMBL1820549 0.80 CXCR2 (0.46) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575587 0.80 CXCR2 (0.46) CXCR2CXCR1CA1CA2CA9
SCHEMBL3584598 0.78 CXCR2 (0.47) CXCR2CXCR1CA1CA2CA9
SCHEMBL28797392 0.77 CXCR2 (0.49) CXCR2CXCR1CA1CA2CA9
SCHEMBL1820489 0.76 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL3842500 0.76 PTPN11 (0.50) CXCR2CXCR1CA1CA2CA9

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 14 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 claimed
EP-2094638-B1 2-ARYL-2-FLUOROPROPANOIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2012-08-08 EP claimed
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 claimed
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 claimed
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 claimed
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
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
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
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
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 33/4885CXCR1 744/4885CA1 3830/4885

“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.