SCHEMBL3155111

SCHEMBL3155111

CC(C)Cc1ccccc1[C@@H](C)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 7/20 0.49
PTGS1 P23219 5/20 0.49
LMNA P02545 2/20 0.49
CYP2C9 P11712 2/20 0.49
AKR1C3 P42330 2/20 0.49
CXCR1 P25024 2/20 0.49
CXCR2 P25025 2/20 0.49
CXCL8 P10145 2/20 0.49
ALB P02768 1/20 0.49
ESR1 P03372 1/20 0.49
ALOX5 P09917 1/20 0.49
RARB P10826 1/20 0.49
ADRB3 P13945 1/20 0.49
NFKB1 P19838 1/20 0.49
HTR2A P28223 1/20 0.49
NR1I3 Q14994 1/20 0.49
SLC22A6 Q4U2R8 1/20 0.49
TSHR P16473 1/20 0.49
AKR1C2 P52895 1/20 0.49
BLM P54132 1/20 0.49

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
SCHEMBL9119656 1.00 PTGS2 (0.49) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL1394339 1.00 PTGS2 (0.49) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL4483212 0.89 GABRA1 (0.47) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL4480628 0.89 GABRA1 (0.47) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL5016325 0.89 GABRA1 (0.47) PTGS2PTGS1LMNACYP2C9AKR1C3
Ibuprofen SCHEMBL1891683 0.88 PTGS2 (0.71) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL5960824 0.86 GABRA1 (0.42) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL5017117 0.86 GABRA1 (0.42) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL10429886 0.86 CYP2D6 (0.47) PTGS2PTGS1CYP2C9CXCL8MMP1
SCHEMBL5983552 0.85 PTGS2 (0.46) PTGS2PTGS1LMNAAKR1C3CXCR1

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-7705050-B2 Amides, useful in the inhibition of IL-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2010-04-27 US disclosed
EP-1255726-B1 (R)-2-ARYL-PROPIONAMIDES, USEFUL IN THE INHIBITION OF IL-8 INDUCED CHEMIOTAXIS OF NEUTROPHILS DOMPE PHA R MA SPA RES & MFG (IT) 2009-11-11 EP disclosed
US-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils DOMPÉ FARMACEUTICI S.P.A. (IT) 2004-09-16 US 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
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
US-5380927-A Process for preparing optically active 2-aryl-alkanoic acids, in particular 2-aryl-propionic acids MEDICE CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1995-01-10 US disclosed
US-5266723-A Process for the preparation of optically active 2-aryl-alkanoic acids, especially 2-aryl-propionic acids MEDICE, LTD., CHEM.-PHARM. FABRIK PUTTER GMBH & CO. KG (DE) 1993-11-30 US 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-20040181073-A1 Amides, useful in the inhibition of il-8-induced chemotaxis of neutrophils CXCL8, MMP8, CCR8 PTGS2 219/4885PTGS1 171/4885LMNA 3228/4885

“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.