SCHEMBL2333663

SCHEMBL2333663

CC(C#N)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.52
CXCR1 P25024 1/20 0.51
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
CA1 P00915 4/20 0.34
CA2 P00918 4/20 0.34
CA9 Q16790 3/20 0.34
HSD11B1 P28845 1/20 0.34
HTR1A P08908 3/20 0.33
HTR1D P28221 3/20 0.33
HTR1B P28222 3/20 0.33
CA12 O43570 1/20 0.33
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
ALDH1A1 P00352 1/20 0.32
ESRRG P62508 1/20 0.32

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
SCHEMBL1823612 0.81 CA2 (0.37) CXCR2CXCR1CA1CA2CA9
SCHEMBL16172609 0.81 CXCR2 (0.59) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL1824882 0.78 TDP1 (0.53) CA2CA12ALDH1A1
Hydrochloric Acid SCHEMBL2424044 0.77 CXCR2 (0.55) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL576035 0.76 CA2 (0.50) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL10194678 0.76 PDE2A (0.50) HSD11B1ALDH1A1
SCHEMBL1345636 0.75 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL245190 0.75 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL1820095 0.75 CXCR2 (0.69) CXCR2CXCR1
SCHEMBL13147702 0.74 CXCR2 (0.56) CXCR2CXCR1DRD2DRD1DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1663960-B1 AMIDINES AND DERIVATIVES THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE SPA (IT) 2011-08-24 EP disclosed
US-7674806-B2 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-03-09 US disclosed
US-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them DOMPE PHA.R.MA S.P.A (IT) 2007-07-05 US 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-20070155717-A1 Amidines and derivatives thereof and pharmaceutical compositions containing them MMP8, CXCL8, MPO CXCR2 15/4885CXCR1 24/4885DRD2 3639/4885

“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.