SCHEMBL6523274

SCHEMBL6523274

O=S(=O)(O)c1ccc2sc(S(=O)(=O)O)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.51
ALDH1A1 P00352 4/20 0.44
POLB P06746 1/20 0.44
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
CA1 P00915 3/20 0.41
CA4 P22748 3/20 0.41
CA12 O43570 2/20 0.41
CA14 Q9ULX7 2/20 0.41
CA7 P43166 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
CA5A P35218 2/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
GAA P10253 1/20 0.39
PKM P14618 1/20 0.38
PTPN11 Q06124 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
Hydrochloric Acid SCHEMBL11147127 0.87 CA2 (0.47) CA2ALDH1A1POLBPSMB8PSMB5
Hydrochloric Acid SCHEMBL11148008 0.85 CA2 (0.44) CA2ALDH1A1POLBPSMB8PSMB5
Hydrochloric Acid SCHEMBL11143928 0.84 CA2 (0.43) CA2ALDH1A1POLBPSMB8PSMB5
SCHEMBL84337 0.81 POLB (0.66) ALDH1A1POLBGAAPKMHSD17B10
SCHEMBL3395601 0.81 ALDH1A1 (0.43) CA2ALDH1A1POLBCYP1A2CYP3A4
SCHEMBL4102647 0.81 ALDH1A1 (0.57) CA2ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL14532502 0.80 CYP1A2 (0.51) ALDH1A1POLBCYP1A2CYP3A4CYP2C19
Hydrochloric Acid SCHEMBL11473358 0.80 ALDH1A1 (0.43) CA2ALDH1A1POLBCYP1A2CYP3A4
SCHEMBL4175786 0.80 ALDH1A1 (0.43) CA2ALDH1A1POLBCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL27712068 0.80 POLB (0.64) ALDH1A1POLBGAAPKMHSD17B10

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