SCHEMBL4048060

SCHEMBL4048060

CC(C)CC(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)CC1=O

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSK P43235 15/20 0.59
CTSL P07711 6/20 0.57
CTSS P25774 6/20 0.57
CTSB P07858 4/20 0.57
CTSV O60911 1/20 0.57
UTS2R Q9UKP6 2/20 0.53
TAS1R3 Q7RTX0 2/20 0.46
TAS1R1 Q7RTX1 2/20 0.46

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
SCHEMBL5582177 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL29589244 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL460195 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4770250 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL5096547 1.00 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4790888 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4053800 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL901295 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL29589864 0.93 CTSK (0.59) CTSKCTSLCTSSCTSBCTSV
SCHEMBL4790890 0.93 CTSK (0.59) 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
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP claimed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP claimed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO claimed
US-20200085767-A1 Methods for Treating Hydrocephalus INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION 2020-03-19 US disclosed
EP-1796677-A4 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORP (US) 2009-07-08 EP disclosed
EP-1796677-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-06-20 EP disclosed
WO-2006029209-A2 METHOD FOR ACTIVATING TRPV4 CHANNEL RECEPTORS BY AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-16 WO disclosed