SCHEMBL468421

SCHEMBL468421

CCc1csc([C@H](Cc2ccc(NS(=O)(=O)O)cc2)NCC(Cc2ccccc2)c2nc(C)no2)n1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.61

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
SCHEMBL946515 1.00 PTPRB (0.61) PTPRB
SCHEMBL28828067 0.87 PTPRB (0.69) PTPRB
SCHEMBL29794275 0.87 PTPRB (0.69) PTPRB
SCHEMBL500893 0.85 PTPRB (0.68) PTPRB
SCHEMBL500894 0.85 PTPRB (0.68) PTPRB
SCHEMBL500469 0.76 PTPRB (1.00) PTPRB
SCHEMBL500468 0.76 PTPRB (1.00) PTPRB
SCHEMBL8768040 0.76 PTPRB (0.76) PTPRB
SCHEMBL3604107 0.76 PTPRB (0.79) PTPRB
SCHEMBL3604112 0.76 PTPRB (0.79) PTPRB

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-2624916-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES Aerpio Therapeutics Inc. (US) 2013-08-14 EP disclosed
EP-2451279-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS Akebia Therapeutics Inc. (US) 2012-05-16 EP disclosed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO disclosed
EP-2385763-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME Akebia Therapeutics Inc. (US) 2011-11-16 EP disclosed
US-20110253725-A1 MULTI-PORT BEVERAGE AND FOOD CONTAINERS KILLIAN WILLIAM 2011-10-20 US disclosed
WO-2011005330-A1 COMPOUNDS, COMPOSITIONS, AND METHODS FOR PREVENTING METASTASIS OF CANCER CELLS AKEBIA THERAPEUTICS INC. (US) 2011-01-13 WO disclosed
WO-2010081172-A1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AKEBIA THERAPEUTICS INC. (US) 2010-07-15 WO disclosed