SCHEMBL4882979

SCHEMBL4882979

COC(=O)c1cc(C(=O)NCC(C)(C)C)ccc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.53
CNR1 P21554 3/20 0.53
PPARG P37231 1/20 0.42
F7 P08709 2/20 0.41
PRSS1 P07477 2/20 0.41
F2 P00734 1/20 0.41
F9 P00740 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
F11 P03951 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
NAMPT P43490 1/20 0.41
NOTUM Q6P988 1/20 0.40
ADORA2A P29274 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 3/20 0.39
HPGD P15428 3/20 0.38
MAPT P10636 2/20 0.38
ALDH1A1 P00352 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
SCHEMBL4884688 0.86 CNR2 (0.55) CNR2CNR1PPARGF7PRSS1
SCHEMBL3894629 0.80 CNR2 (0.57) CNR2CNR1NAMPTADORA2AL3MBTL1
SCHEMBL851742 0.78 KDM4E (0.58) NOTUMKDM4EHPGDMAPTALDH1A1
SCHEMBL27214491 0.78 PPARG (0.69) CNR2CNR1PPARGL3MBTL1KDM4E
SCHEMBL2889004 0.77 ALDH1A1 (0.53) NOTUML3MBTL1KDM4EHPGDMAPT
SCHEMBL4876419 0.76 CNR2 (0.57) CNR2CNR1NAMPTADORA2AHPGD
SCHEMBL23471122 0.76 HTT (0.49) CNR2CNR1PRSS1ADORA2AL3MBTL1
SCHEMBL4914225 0.76 KDM4E (0.46) NOTUML3MBTL1KDM4EHPGDMAPT
SCHEMBL4889383 0.75 F7 (0.48) CNR2F7PRSS1F2F9
SCHEMBL3890880 0.75 CNR2 (0.53) CNR2CNR1PPARGNAMPTADORA2A

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.