SCHEMBL6522505

SCHEMBL6522505

Cc1cc(S(=O)(=O)O)c(C)s1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
TSHR P16473 3/20 0.50
HTT P42858 6/20 0.49
GAA P10253 3/20 0.49
LMNA P02545 4/20 0.45
KDM4E B2RXH2 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
HPGD P15428 4/20 0.45
NPSR1 Q6W5P4 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
GFER P55789 2/20 0.42
MAPT P10636 3/20 0.41
MAPK1 P28482 2/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP2 O75604 1/20 0.37

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
SCHEMBL3067315 0.98 ALDH1A1 (0.52) ALDH1A1TSHRHTTGAALMNA
Hydrochloric Acid SCHEMBL27667419 0.96 ALDH1A1 (0.50) ALDH1A1TSHRHTTGAALMNA
SCHEMBL14089196 0.77 ALDH1A1 (0.53) ALDH1A1TSHRHTTGAALMNA
SCHEMBL3179215 0.77 ALDH1A1 (0.37) ALDH1A1TSHRHTTGAALMNA
SCHEMBL29016252 0.77 TAAR1 (0.41) ALDH1A1TSHRHTTGAALMNA
SCHEMBL392578 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHTTGAALMNA
SCHEMBL2420528 0.76 ALDH1A1 (0.52) ALDH1A1TSHRHTTGAALMNA
Hydrochloric Acid SCHEMBL27989899 0.75 CDK1 (0.39) ALDH1A1TSHRHTTGAALMNA
SCHEMBL15880573 0.75 HTT (0.58) ALDH1A1TSHRHTTGAALMNA
SCHEMBL6522507 0.74 ALDH1A1 (0.50) ALDH1A1TSHRHTTGAALMNA

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-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
CN-1295677-A Method and apparatus for accelerated orthokeratology EASTA PHARMACEUTICALS INC (US) 2001-05-16 CN 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