SCHEMBL4884688

SCHEMBL4884688

CC(C)(C)CNC(=O)c1ccc(Br)c(C(=O)O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.55
CNR1 P21554 3/20 0.55
PPARG P37231 2/20 0.47
ADORA2A P29274 1/20 0.45
F7 P08709 5/20 0.44
F9 P00740 3/20 0.44
F11 P03951 3/20 0.44
F10 P00742 2/20 0.44
PLAU P00749 2/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
F2 P00734 1/20 0.44
NR1H4 Q96RI1 4/20 0.44
EPHX2 P34913 1/20 0.44
PPARA Q07869 1/20 0.44
NAMPT P43490 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
CHEK1 O14757 1/20 0.42

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
SCHEMBL4882979 0.86 CNR2 (0.53) CNR2CNR1PPARGADORA2AF7
SCHEMBL3894629 0.82 CNR2 (0.57) CNR2CNR1ADORA2ANAMPTALDH1A1
SCHEMBL4876418 0.80 CNR2 (0.53) CNR2CNR1PPARGADORA2APRSS1
SCHEMBL4876419 0.78 CNR2 (0.57) CNR2CNR1ADORA2ANR1H4EPHX2
SCHEMBL14294157 0.78 PPARG (0.46) PPARGF7F10F2NR1H4
SCHEMBL3890880 0.77 CNR2 (0.53) CNR2CNR1PPARGADORA2ANAMPT
SCHEMBL17865785 0.77 ADORA2A (0.59) CNR2CNR1ADORA2APRSS1NR1H4
SCHEMBL27214505 0.77 PPARG (0.76) CNR2CNR1PPARGADORA2ANR1H4
SCHEMBL3893570 0.76 MAPT (0.57) CNR2CNR1ALDH1A1HPGD
SCHEMBL23471200 0.74 PRSS1 (0.44) CNR2CNR1ADORA2APRSS1NR1H4

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-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
US-20080051416-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION (US) 2008-02-28 US disclosed
EP-1805132-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-07-11 EP disclosed
WO-2006110173-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-19 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-20080051416-A1 Novel Compounds MAPK1, MAPKAPK2, MAPK6 CNR2 1310/4885CNR1 981/4885PPARG 900/4885

“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.