SCHEMBL3141629

SCHEMBL3141629

CC(=O)c1cccc([C@@H](C)C(=O)Cl)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 4/20 0.51
PTGS1 P23219 3/20 0.51
PTGS2 P35354 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
CXCR1 P25024 2/20 0.51
CXCR2 P25025 2/20 0.51
LMNA P02545 2/20 0.51
CYP3A4 P08684 2/20 0.51
RECQL P46063 1/20 0.51
KDM4E B2RXH2 1/20 0.51
HPGD P15428 1/20 0.51
MAPK1 P28482 1/20 0.51
PMP22 Q01453 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CXCL8 P10145 1/20 0.51
THPO P40225 1/20 0.51
HIF1A Q16665 1/20 0.51
AKR1C3 P42330 1/20 0.44

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
SCHEMBL27581017 1.00 ALDH1A1 (0.51) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL9119732 0.86 PTGS1 (0.56) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL28999793 0.85 ALDH1A1 (0.59) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL27845336 0.85 ALDH1A1 (0.54) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL10980506 0.85 PTGS1 (0.47) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL1344993 0.84 PTGS1 (0.72) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL1344992 0.84 PTGS1 (0.72) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL6717009 0.84 PTGS1 (0.72) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL3823205 0.83 PTGS1 (0.76) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2
SCHEMBL4743645 0.83 PTGS1 (0.76) ALDH1A1MAPTPTGS1PTGS2SMN1; SMN2

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 5 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

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 ALDH1A1 582/4885MAPT 3584/4885PTGS1 171/4885

“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.