SCHEMBL3143530

SCHEMBL3143530

COc1ccc([C@@H](C)C(=O)N[C@@H](C)C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.55
PTGS2 P35354 3/20 0.50
AKR1C3 P42330 3/20 0.50
AKR1C2 P52895 3/20 0.50
PTGS1 P23219 2/20 0.50
CDC42 P60953 1/20 0.50
RAC1 P63000 1/20 0.50
CYP1A2 P05177 1/20 0.50
TSHR P16473 1/20 0.50
SLC22A6 Q4U2R8 1/20 0.50
GAA P10253 1/20 0.47
KMT2A Q03164 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
MME P08473 3/20 0.46
APP P05067 1/20 0.46
CYP2C19 P33261 1/20 0.46
ACACB O00763 1/20 0.46

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
SCHEMBL7958317 1.00 GPR88 (0.62) GPR88SMN1; SMN2PTGS2AKR1C3AKR1C2
SCHEMBL7960070 0.84 GPR88 (0.59) GPR88SMN1; SMN2PTGS2AKR1C3AKR1C2
SCHEMBL6481469 0.84 SMN1; SMN2 (0.52) GPR88SMN1; SMN2PTGS2AKR1C3AKR1C2
SCHEMBL4156225 0.81 MME (0.64) GPR88SMN1; SMN2MME
SCHEMBL7960075 0.81 GPR88 (0.59) GPR88MME
SCHEMBL599316 0.81 PTGS2 (0.71) GPR88PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL350067 0.81 PTGS2 (0.71) GPR88PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL2370631 0.81 PTGS2 (0.71) GPR88PTGS2AKR1C3AKR1C2PTGS1
SCHEMBL7960115 0.80 GPR88 (0.57) GPR88AKR1C3AKR1C2GAAKMT2A
SCHEMBL28662721 0.79 PTGS2 (0.69) GPR88PTGS2AKR1C3AKR1C2PTGS1

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 GPR88 51/4885SMN1; SMN2 3442/4885PTGS2 219/4885

“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.