SCHEMBL1820489

SCHEMBL1820489

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

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 2/20 0.47
CXCR1 P25024 1/20 0.47
KIF11 P52732 1/20 0.44
ELANE P08246 1/20 0.43
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
APP P05067 1/20 0.41
HSD11B1 P28845 2/20 0.41
STS P08842 2/20 0.39
CYP26A1 O43174 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL13313607 0.88 CXCR2 (0.47) CXCR2CA1CA2CA9CXCR1
SCHEMBL3574727 0.86 CXCR2 (0.48) CXCR2CA1CA2CA9CXCR1
SCHEMBL1819925 0.86 CXCR2 (0.48) CXCR2CA1CA2CA9CXCR1
SCHEMBL3582579 0.86 CXCR2 (0.48) CXCR2CA1CA2CA9CXCR1
SCHEMBL1821730 0.85 CXCR2 (0.48) CXCR2CA1CA2CA9CXCR1
SCHEMBL2832043 0.82 CA1 (0.63) CXCR2CA1CA2CA9CXCR1
SCHEMBL3842500 0.82 PTPN11 (0.50) CXCR2CA1CA2CA9CXCR1
SCHEMBL27907155 0.82 CXCR2 (0.58) CXCR2CA1CA2CA9CXCR1
SCHEMBL1821731 0.81 CXCR2 (0.44) CXCR2CA1CA2CA9CXCR1
SCHEMBL27907156 0.81 CXCR2 (0.50) CXCR2CA1CA2CA9CXCR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2012-12-13 US disclosed
EP-2493846-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2012-09-05 EP disclosed
WO-2011051375-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompé S.p.A. (IT) 2011-05-05 WO disclosed
EP-2316820-A1 2-aryl-propionamide derivatives useful as bradykinin receptor antagonists and pharmaceutical compositions containing them Dompe S.p.A. (IT) 2011-05-04 EP 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-20120316169-A1 2-ARYL-PROPIONAMIDE DERIVATIVES USEFUL AS BRADYKININ RECEPTOR ANTAGONISTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM BDKRB2, BDKRB1, CNR2 CXCR2 271/4885CA1 4330/4885CA2 1805/4885

“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.