SCHEMBL4077783

SCHEMBL4077783

CC(C)C[C@H](N)C(=O)NC1CCCN(S(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.47
KDM4E B2RXH2 1/20 0.45
EPHX2 P34913 5/20 0.43
PKM P14618 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HSD11B1 P28845 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CNR2 P34972 1/20 0.39
CACNA1B Q00975 1/20 0.39

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
SCHEMBL14342615 0.88 ATM (0.46) ATMKDM4EEPHX2PKMHTR2A
SCHEMBL4075417 0.87 KDM4E (0.45) ATMKDM4EEPHX2PKMHSD11B1
SCHEMBL4898677 0.86 CTSK (0.47) ATMKDM4EPKM
SCHEMBL5527900 0.84 ATM (0.49) ATMKDM4EEPHX2PKMHTR2A
SCHEMBL4254374 0.82 UTS2R (0.41) ATMKDM4EEPHX2ALDH1A1CTDSP1
SCHEMBL4077779 0.81 ATM (0.45) ATMKDM4EEPHX2PKMHTR2A
SCHEMBL14342638 0.81 CTSK (0.56)
SCHEMBL4081067 0.81 ATM (0.56) ATMKDM4EEPHX2PKMHTR2A
SCHEMBL14342616 0.81 UTS2R (0.54)
SCHEMBL4253479 0.81 UTS2R (0.54)

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
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP claimed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US claimed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP claimed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO claimed
EP-1796793-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-08-05 EP disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US disclosed
EP-1796793-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029154-A2 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 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-20070293477-A1 Novel Compounds HRH4, TRPV4, TRPC4 ATM 4424/4885KDM4E 1776/4885EPHX2 891/4885

“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.