SCHEMBL6526004

SCHEMBL6526004

COc1ccc2c(c1)sc(=O)n2CCCS(=O)(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.47
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
TP53 P04637 1/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.43
CNR2 P34972 5/20 0.42
CNR1 P21554 3/20 0.42
PKM P14618 1/20 0.42

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
SCHEMBL4614265 0.85 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL4621389 0.85 ALDH1A1 (0.46) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL11316106 0.81 CNR2 (0.50) SMN1; SMN2RAB9ANPC1L3MBTL1CYP3A4
SCHEMBL5277645 0.81 ALDH1A1 (0.45) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL9253353 0.79 SMN1; SMN2 (0.53) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL13394783 0.79 SMN1; SMN2 (0.54) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL5616611 0.75 KDM4E (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL6340728 0.72 ALDH1A1 (0.66) SMN1; SMN2RAB9ANPC1LMNAMAPT
SCHEMBL13394304 0.72 SMN1; SMN2 (0.71) SMN1; SMN2RAB9ANPC1LMNAALDH1A1
SCHEMBL4613924 0.71 S1PR1 (0.44) SMN1; SMN2RAB9ANPC1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
EP-1051655-A4 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2003-03-19 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed
EP-1051655-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY Ista Pharmaceuticals, Inc. (US) 2000-11-15 EP disclosed
WO-1999039238-A1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY KERATOFORM, INC. (US) 1999-08-05 WO disclosed