SCHEMBL4075475

SCHEMBL4075475

CC1=C(C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]2CCCN(S(=O)(=O)c3ccccc3C#N)CC2)Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.40
CTSK P43235 6/20 0.38
CTSL P07711 4/20 0.38
CTSS P25774 4/20 0.38
CTSB P07858 2/20 0.38
KDM4E B2RXH2 1/20 0.37
CTSV O60911 1/20 0.37
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TAOK1 Q7L7X3 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL4075417 0.86 KDM4E (0.45) ATMCTSKCTSLCTSSKDM4E
SCHEMBL4254374 0.83 UTS2R (0.41) ATMCTSKCTSLCTSSCTSB
SCHEMBL14342615 0.83 ATM (0.46) ATMKDM4EEPHX2POLBKMT2A
SCHEMBL4252303 0.80 CTSK (0.58) CTSKCTSLCTSSCTSBCTSV
SCHEMBL14342619 0.80 CTSL (0.48) ATMCTSKCTSLCTSSCTSB
SCHEMBL4080686 0.80 CTSK (0.43) ATMCTSKCTSLCTSSCTSB
SCHEMBL29590366 0.80 CTSL (0.48) ATMCTSKCTSLCTSSCTSB
SCHEMBL5581546 0.80 CTSL (0.48) ATMCTSKCTSLCTSSCTSB
SCHEMBL14342616 0.80 UTS2R (0.54) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4253479 0.80 UTS2R (0.54) CTSKCTSLCTSSCTSBCTSV

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070293477-A1 Novel Compounds SMITHKLINE BEECHAM CORPORATION 2007-12-20 US 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 4424/4885CTSK 2064/4885CTSL 1118/4885

“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.