SCHEMBL3137705

SCHEMBL3137705

C[C@@H](C(=O)Nc1ccncc1)c1cc(C(=O)c2ccccc2)ccc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 2/20 0.62
PTGS2 P35354 2/20 0.62
MAPT P10636 3/20 0.54
HTT P42858 5/20 0.52
ALDH1A1 P00352 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HPGD P15428 1/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
LMNA P02545 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA9 Q16790 1/20 0.49
JAK2 O60674 1/20 0.46
TYK2 P29597 1/20 0.46
ANO1 Q5XXA6 1/20 0.45

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
SCHEMBL3156189 0.82 PTGS1 (0.61) PTGS1PTGS2MAPTHTTALDH1A1
SCHEMBL3136598 0.78 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1SMN1; SMN2
SCHEMBL3136599 0.78 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1SMN1; SMN2
SCHEMBL3136604 0.78 PTGS1 (1.00) PTGS1PTGS2MAPTALDH1A1SMN1; SMN2
SCHEMBL3144079 0.77 PTGS1 (0.67) PTGS1PTGS2MAPTHTTALDH1A1
SCHEMBL11705637 0.73 RAB9A (0.58) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL3152648 0.72 HPGD (0.61) MAPTHTTALDH1A1SMN1; SMN2HPGD
SCHEMBL5466412 0.72 JAK2 (0.86) HTTALDH1A1SMN1; SMN2RAB9AMEN1
SCHEMBL1820700 0.71 MAPT (0.85) PTGS1PTGS2MAPTHTTALDH1A1
SCHEMBL10428340 0.71 PTGS1 (0.70) PTGS1PTGS2MAPTALDH1A1SMN1; 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 9 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 claimed
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 claimed
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 claimed
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 claimed
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 PTGS1 171/4885PTGS2 219/4885MAPT 3584/4885

“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.