SCHEMBL4386602

SCHEMBL4386602

CC(C(=O)NCC(=O)O)c1cccc(C(C)(O)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.47
ACE P12821 1/20 0.44
ERCC1 P07992 1/20 0.42
ERCC4 Q92889 1/20 0.42
GLI1 P08151 2/20 0.41
GLI2 P10070 2/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR139 Q6DWJ6 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
BACE1 P56817 2/20 0.38
BCHE P06276 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL4374428 0.81 PTGS1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12129513 0.81 PTGS1 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL6137585 0.80 MME (0.62) MMEACEERCC1ERCC4
SCHEMBL3147315 0.79 MME (0.51) MMEACEERCC1ERCC4GLI1
SCHEMBL4385872 0.79 MME (0.51) MMEACEERCC1ERCC4GLI1
SCHEMBL3143059 0.77 GLI1 (0.65) GLI1GLI2CA12CA1CA2
SCHEMBL1891876 0.76 PTGS1 (0.65) MMEACEERCC1ERCC4GLI1
SCHEMBL27598564 0.76 PTGS1 (0.65) MMEACEERCC1ERCC4GLI1
SCHEMBL3142324 0.71 HPGD (0.45) GLI1GLI2CA12CA1CA2
SCHEMBL15572358 0.71 ERCC1 (0.49) ERCC1ERCC4CNR1CNR2CYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MME 2941/4885ACE 1844/4885ERCC1 2810/4885

“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.