SCHEMBL4072175

SCHEMBL4072175

CC(C)C[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)N(C)C1CCCN(S(=O)(=O)c2ccccc2C#N)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSL P07711 6/20 0.43
CTSS P25774 5/20 0.43
TRPA1 O75762 1/20 0.38
ATM Q13315 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
KDM4E B2RXH2 1/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
CTSK P43235 5/20 0.35
CTSB P07858 2/20 0.35
CTSV O60911 1/20 0.35
PHGDH O43175 1/20 0.34
CHRNA7 P36544 1/20 0.34
POLB P06746 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
SCHEMBL14342661 1.00 CTSL (0.43) CTSLCTSSTRPA1ATMHTR2A
SCHEMBL29590366 0.86 CTSL (0.48) CTSLCTSSTRPA1ATMKDM4E
SCHEMBL14342619 0.86 CTSL (0.48) CTSLCTSSTRPA1ATMKDM4E
SCHEMBL5581546 0.86 CTSL (0.48) CTSLCTSSTRPA1ATMKDM4E
SCHEMBL4037337 0.82 CTSK (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL461847 0.82 CTSK (0.54) CTSLCTSSCTSKCTSBCTSV
SCHEMBL14366322 0.80 CTSL (0.41) CTSLCTSSATMHTR2AHTR2C
SCHEMBL5434643 0.76 CTSL (0.47) CTSLCTSSTRPA1CTSKCTSB
SCHEMBL4187902 0.76 CTSL (0.46) CTSLCTSSTRPA1KDM4ECTSK
SCHEMBL14362854 0.75 CTSL (0.44) CTSLCTSSCTSKCTSBCTSV

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 8 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
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 CTSL 1118/4885CTSS 1770/4885TRPA1 11/4885

“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.