SCHEMBL1883571

SCHEMBL1883571

CC(C)Cc1ccc([C@@H](C)C(N)=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 1.00
CXCR1 P25024 5/20 0.70
CXCR2 P25025 5/20 0.70
PTGS1 P23219 3/20 0.70
PTGS2 P35354 3/20 0.70
LMNA P02545 2/20 0.70
CYP2C9 P11712 2/20 0.70
AKR1C3 P42330 2/20 0.70
ALOX5 P09917 2/20 0.70
ALB P02768 1/20 0.70
ESR1 P03372 1/20 0.70
RARB P10826 1/20 0.70
ADRB3 P13945 1/20 0.70
NFKB1 P19838 1/20 0.70
HTR2A P28223 1/20 0.70
NR1I3 Q14994 1/20 0.70
SLC22A6 Q4U2R8 1/20 0.70
CXCL8 P10145 1/20 0.70
TSHR P16473 1/20 0.70
AKR1C2 P52895 1/20 0.70

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
SCHEMBL260688 1.00 EPHX1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL3152241 1.00 EPHX1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
Hydrochloric Acid SCHEMBL3424822 0.98 EPHX1 (0.96) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL1082216 0.90 EPHX1 (0.81) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL11641216 0.85 EPHX1 (0.74) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL13802425 0.84 EPHX1 (0.72) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL4471196 0.82 CXCR1 (0.79) EPHX1CXCR1CXCR2PTGS1PTGS2
Ibuprofen SCHEMBL239446 0.82 PTGS1 (1.00) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL1526008 0.82 EPHX1 (0.70) EPHX1CXCR1CXCR2PTGS1PTGS2
SCHEMBL22509339 0.82 EPHX1 (0.70) EPHX1CXCR1CXCR2PTGS1PTGS2

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881755-B2 N-(2-aryl-propionyl)-sulfonamides and pharmaceutical preparations containing them Dompé S.p.A. (IT) 2005-04-19 US claimed
US-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them DOMPE S.P.A. 2003-11-20 US claimed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP claimed
EP-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP claimed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 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
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US disclosed
EP-1123276-B1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE SPA (IT) 2003-01-08 EP disclosed
EP-1255726-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.P.A. (IT) 2002-11-13 EP disclosed
EP-0759426-B1 Process for the preparation of optically active 1-aryl-alkylamines BAYER AG (DE) 2001-11-28 EP disclosed
WO-2001058852-A2 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8-INDUCED CHEMIOTAXIS OF NEUTROPHILS Dompé S.p.A. (IT) 2001-08-16 WO disclosed
EP-1123276-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM Dompe' S.P.A. (IT) 2001-08-16 EP disclosed
WO-2000024710-A1 N-(2-ARYL-PROPIONYL)-SULFONAMIDES AND PHARMACEUTICAL PREPARATIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2000-05-04 WO disclosed
US-5773656-A Process for the preparation of optically active 1-aryl-alkylamines BAYER AKTIENGESELLSCHAFT (DE) 1998-06-30 US disclosed
EP-0759426-A2 Process for the preparation of optically active 1-aryl-alkylamines BAYER AG (DE) 1997-02-26 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 (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-20030216392-A1 N - ( 2 - aryl - propionyl ) - sulfonamides and pharmaceutical preparations containing them ELANE, MPO, FPR1 EPHX1 1036/4885CXCR1 133/4885CXCR2 15/4885
US-20120004264-A1 2-PHENYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CXCR2, CXCR3, MMP8 EPHX1 1095/4885CXCR1 4/4885CXCR2 1/4885

“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.