SCHEMBL1891876

SCHEMBL1891876

C[C@@H](C(=O)NCC(=O)O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.65
GLI1 P08151 1/20 0.64
GLI2 P10070 1/20 0.64
MEN1 O00255 1/20 0.59
CYP2D6 P10635 1/20 0.59
KMT2A Q03164 1/20 0.59
PTGS2 P35354 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
ALOX5 P09917 1/20 0.50
MME P08473 1/20 0.49
LMNA P02545 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FFAR1 O14842 2/20 0.47
ERCC1 P07992 1/20 0.47
ERCC4 Q92889 1/20 0.47
HTR1D P28221 1/20 0.46
HTR1B P28222 1/20 0.46
ACE P12821 1/20 0.46
ACACB O00763 1/20 0.45
ACACA Q13085 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
SCHEMBL27598564 1.00 PTGS1 (0.65) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL13679147 0.84 GLI1 (0.68) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11533724 0.83 PTGS1 (0.60) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11533548 0.83 GLI1 (0.81) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL9878055 0.83 PTGS1 (0.72) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL11531868 0.83 PTGS1 (0.72) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL6137585 0.82 MME (0.62) MEN1KMT2APTGS2MMELMNA
SCHEMBL11533087 0.82 GLI1 (0.59) PTGS1GLI1GLI2MEN1CYP2D6
SCHEMBL3147315 0.81 MME (0.51) GLI1GLI2PTGS2MMELMNA
SCHEMBL12608944 0.81 GLI1 (0.64) PTGS1GLI1GLI2MEN1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7939521-B2 2-arylpropionic acid derivatives and pharmaceutical compositions containing them DompePHA.R.MA S.p.A. (IT) 2011-05-10 US claimed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 EP 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
CN-100513386-C Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils DOMP S P A (IT) 2009-07-15 CN disclosed
EP-1856031-B1 2-ARYLPROPIONIC ACID DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE PHA R MA SPA RES & MFG (IT) 2009-02-25 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
CN-1479715-A Amides for inhibiting interleukin 8-induced chemotaxis of neutrophils ��ķ�ɷ����޹�˾ 2004-03-03 CN 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 171/4885GLI1 886/4885GLI2 2562/4885

“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.