SCHEMBL252247

SCHEMBL252247

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

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.60
CXCR1 P25024 1/20 0.50
CA4 P22748 16/20 0.45
CA12 O43570 13/20 0.45
CA9 Q16790 11/20 0.45
CA1 P00915 10/20 0.45
CA2 P00918 10/20 0.45
KMT2A Q03164 1/20 0.38
GPR88 Q9GZN0 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
SCHEMBL251224 1.00 CXCR2 (0.60) CXCR2CXCR1CA4CA12CA9
SCHEMBL252769 0.78 CXCR2 (0.58) CXCR2CXCR1KMT2A
SCHEMBL253752 0.78 CXCR2 (0.58) CXCR2CXCR1KMT2A
SCHEMBL251658 0.78 CXCR2 (0.75) CXCR2CXCR1CA4CA12CA9
SCHEMBL250803 0.78 CXCR2 (0.75) CXCR2CXCR1CA4CA12CA9
Hydrochloric Acid SCHEMBL253016 0.77 CXCR2 (0.57) CXCR2CXCR1KMT2A
SCHEMBL27219474 0.76 CXCR2 (0.73) CXCR2CXCR1GPR88
SCHEMBL27219472 0.76 CXCR2 (0.73) CXCR2CXCR1GPR88
SCHEMBL252131 0.76 CXCR2 (0.56) CXCR2CXCR1KMT2A
SCHEMBL2556708 0.76 CXCR2 (0.56) CXCR2CXCR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US claimed
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2012-01-05 US claimed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US claimed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP claimed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US claimed
EP-1776336-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-04-25 EP claimed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 WO claimed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US disclosed
US-8293788-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2012-10-23 US disclosed
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2012-01-05 US disclosed
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPÉ PHA.R.MA S.P.A. (IT) 2012-01-05 US disclosed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
US-8039656-B2 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPÉ FARMACEUTICI S.P.A. (IT) 2011-10-18 US disclosed
EP-1776336-B1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-09-30 EP disclosed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US disclosed
US-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them DOMPE' PHA.R.MA S.P.A (IT) 2009-08-13 US disclosed
EP-1776336-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' pha.r.ma s.p.a. (IT) 2007-04-25 EP disclosed
WO-2005090295-A2 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' PHA.R.MA S.P.A. (IT) 2005-09-29 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 (2 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-20090203740-A1 2-phenylpropionic acid derivatives and pharmaceutical compositions containing them CXCR2, CXCR3, MMP8 CXCR2 1/4885CXCR1 4/4885CA4 2869/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 CXCR2 1/4885CXCR1 4/4885CA4 2869/4885

“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.