SCHEMBL468182

SCHEMBL468182

O=S(=O)(O)Nc1c[c]c(CC(Nc2nc(-c3ccc(F)cc3)cs2)c2csc(C3CC3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 5/20 0.43
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
MAPT P10636 3/20 0.37
MAPK1 P28482 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
TRPV1 Q8NER1 2/20 0.37
NPY5R Q15761 1/20 0.37
ALOX5 P09917 3/20 0.36
LMNA P02545 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
POLB P06746 1/20 0.35
GCK P35557 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL500152 0.88 PTPRB (0.54) PTPRBKMT2A
SCHEMBL500151 0.88 PTPRB (0.54) PTPRBKMT2A
SCHEMBL467898 0.78 PTPRB (0.52) PTPRBMAPT
SCHEMBL29794276 0.78 PTPRB (0.52) PTPRBMAPT
SCHEMBL467897 0.78 PTPRB (0.52) PTPRBMAPT
SCHEMBL20059822 0.77 KMT2A (0.40) PTPRBKMT2AMEN1MAPTMAPK1
SCHEMBL467947 0.76 PTPRB (0.51) PTPRB
SCHEMBL468112 0.75 PTPRB (0.52) PTPRBKMT2AMEN1MAPTALDH1A1
SCHEMBL27751505 0.75 PTPRB (0.40) PTPRBKMT2AMEN1MAPTMAPK1
SCHEMBL684931 0.74 PTPRB (0.57) 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 13 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 claimed
WO-2012047966-A2 COMPOSITIONS AND METHODS FOR TREATING OCULAR EDEMA, NEOVASCULARIZATION AND RELATED DISEASES AKEBIA THERAPEUTICS INC. (US) 2012-04-12 WO claimed
EP-2967066-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics Inc. (US) 2016-01-20 EP disclosed
WO-2014145068-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC. (US) 2014-09-18 WO disclosed
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
EP-2038265-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE The Procter and Gamble Company (US) 2009-03-25 EP disclosed
WO-2008002570-A2 HUMAN PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THE PROCTER & GAMBLE COMPANY (US) 2008-01-03 WO disclosed