SCHEMBL253752

SCHEMBL253752

CC(C(=O)NCCN1CCCC1)c1ccc(OS(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 2/20 0.58
CXCR1 P25024 1/20 0.48
RAB9A P51151 1/20 0.48
PKM P14618 1/20 0.46
ALDH1A1 P00352 1/20 0.45
DRD2 P14416 1/20 0.44
DRD1 P21728 1/20 0.44
DRD4 P21917 1/20 0.44
DRD5 P21918 1/20 0.44
DRD3 P35462 1/20 0.44
POLB P06746 1/20 0.44
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.42
GLA P06280 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BCHE P06276 1/20 0.42
ACHE P22303 1/20 0.42
MEN1 O00255 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL252769 1.00 CXCR2 (0.58) CXCR2CXCR1RAB9APKMALDH1A1
Hydrochloric Acid SCHEMBL253016 0.99 CXCR2 (0.57) CXCR2CXCR1RAB9APKMALDH1A1
SCHEMBL2556708 0.94 CXCR2 (0.56) CXCR2CXCR1DRD2DRD1DRD4
SCHEMBL252131 0.94 CXCR2 (0.56) CXCR2CXCR1DRD2DRD1DRD4
Hydrochloric Acid SCHEMBL253136 0.93 CXCR2 (0.55) CXCR2CXCR1RAB9ADRD2DRD1
SCHEMBL251855 0.93 CXCR2 (0.55) CXCR2CXCR1DRD2DRD3KMT2A
SCHEMBL252140 0.93 CXCR2 (0.55) CXCR2CXCR1DRD2DRD3KMT2A
Hydrochloric Acid SCHEMBL5569882 0.92 CXCR2 (0.54) CXCR2CXCR1RAB9ADRD2DRD3
Hydrochloric Acid SCHEMBL251520 0.92 CXCR2 (0.54) CXCR2CXCR1RAB9ADRD2DRD3
SCHEMBL252247 0.78 CXCR2 (0.60) 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 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 4/4885RAB9A 988/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 CXCR2 1/4885CXCR1 4/4885RAB9A 988/4885

“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.