SCHEMBL4075417

SCHEMBL4075417

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

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ATM Q13315 1/20 0.45
KMT2A Q03164 2/20 0.43
EPHX2 P34913 1/20 0.43
POLB P06746 1/20 0.41
PKM P14618 1/20 0.40
CTSK P43235 6/20 0.40
CTSL P07711 3/20 0.40
CTSS P25774 3/20 0.40
HSD11B1 P28845 1/20 0.40

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 0.91 ATM (0.46) KDM4EATMKMT2AEPHX2POLB
SCHEMBL14342638 0.89 CTSK (0.56) CTSKCTSLCTSS
SCHEMBL4254374 0.88 UTS2R (0.41) KDM4EATMKMT2AEPHX2POLB
SCHEMBL4077783 0.87 ATM (0.47) KDM4EATMEPHX2PKMHSD11B1
SCHEMBL4075475 0.86 ATM (0.40) KDM4EATMKMT2AEPHX2POLB
SCHEMBL14342616 0.85 UTS2R (0.54) CTSKCTSLCTSS
SCHEMBL14342619 0.85 CTSL (0.48) KDM4EATMPOLBCTSKCTSL
SCHEMBL4252303 0.85 CTSK (0.58) CTSKCTSLCTSS
SCHEMBL4253479 0.85 UTS2R (0.54) CTSKCTSLCTSS
SCHEMBL5581546 0.85 CTSL (0.48) KDM4EATMPOLBCTSKCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 KDM4E 1776/4885ATM 4424/4885KMT2A 3942/4885

“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.