SCHEMBL3584598

SCHEMBL3584598

C[C@@](F)(C(=O)NO)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.47
CXCR1 P25024 1/20 0.43
MMP13 P45452 7/20 0.40
MMP1 P03956 5/20 0.40
MMP2 P08253 5/20 0.40
MMP9 P14780 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
HDAC9 Q9UKV0 1/20 0.40
HDAC5 Q9UQL6 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39

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
SCHEMBL3582529 0.85 CXCR2 (0.45) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575188 0.85 CXCR2 (0.58) CXCR2CXCR1CA1CA2CA9
SCHEMBL3576230 0.84 CXCR2 (0.50) CXCR2CXCR1CA1CA2CA9
SCHEMBL3574727 0.84 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL1819925 0.84 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL3582579 0.84 CXCR2 (0.48) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575515 0.82 CXCR2 (0.48) CXCR2CXCR1MMP13MMP1MMP2
SCHEMBL1820549 0.81 CXCR2 (0.46) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575587 0.81 CXCR2 (0.46) CXCR2CXCR1CA1CA2CA9
SCHEMBL3575588 0.81 CXCR2 (0.46) 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 744/4885MMP13 728/4885

“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.