SCHEMBL252270

SCHEMBL252270

CC(C(=O)NC1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.64
CXCR1 P25024 1/20 0.53
GPR88 Q9GZN0 4/20 0.49
LMNA P02545 1/20 0.46
SMYD3 Q9H7B4 1/20 0.46
KMT2A Q03164 1/20 0.45
TSHR P16473 3/20 0.45
GRM7 Q14831 3/20 0.44
POLB P06746 1/20 0.43
ACACB O00763 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL252030 1.00 CXCR2 (0.64) CXCR2CXCR1GPR88LMNASMYD3
SCHEMBL27219472 0.82 CXCR2 (0.73) CXCR2CXCR1GPR88
SCHEMBL27219474 0.82 CXCR2 (0.73) CXCR2CXCR1GPR88
SCHEMBL250803 0.80 CXCR2 (0.75) CXCR2CXCR1GPR88KMT2A
SCHEMBL251658 0.80 CXCR2 (0.75) CXCR2CXCR1GPR88KMT2A
SCHEMBL9260619 0.80 EPHX1 (0.56) GPR88LMNATSHRGRM7HSD17B10
SCHEMBL7983863 0.78 ALDH1A1 (0.43) CXCR2LMNAKMT2ATSHRALDH1A1
Ladarixin SCHEMBL253446 0.78 CXCR2 (1.00) CXCR2CXCR1GPR88
Ladarixin SCHEMBL251618 0.78 CXCR2 (1.00) CXCR2CXCR1GPR88
SCHEMBL252072 0.77 CXCR2 (0.70) CXCR2CXCR1GPR88

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 7 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 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
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
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 4/4885GPR88 124/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 CXCR2 1/4885CXCR1 4/4885GPR88 124/4885

“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.