SCHEMBL4080686

SCHEMBL4080686

CC(C)C[C@H](NC(=O)c1nc2ccccc2s1)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.43
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
CTSB P07858 2/20 0.43
MAOB P27338 1/20 0.43
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
CASP1 P29466 1/20 0.42
UTS2R Q9UKP6 1/20 0.41
RAB9A P51151 1/20 0.40
CTSV O60911 1/20 0.40
CHRNA7 P36544 1/20 0.39
ATM Q13315 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
SCHEMBL4253479 0.87 UTS2R (0.54) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL14342616 0.87 UTS2R (0.54) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL5523428 0.87 UTS2R (0.54) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4075417 0.85 KDM4E (0.45) CTSKCTSLCTSSATM
SCHEMBL4254374 0.85 UTS2R (0.41) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL14342615 0.83 ATM (0.46) ATM
SCHEMBL5581546 0.81 CTSL (0.48) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL29590366 0.81 CTSL (0.48) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL4252303 0.81 CTSK (0.58) CTSKCTSLCTSSCTSBUTS2R
SCHEMBL14342619 0.81 CTSL (0.48) CTSKCTSLCTSSCTSBUTS2R

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 CTSK 2064/4885CTSL 1118/4885CTSS 1770/4885

“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.