SCHEMBL28947342

SCHEMBL28947342

COC(=O)[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(S(=O)(=O)ON)cc1)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 18/20 0.63
PTPN1 P18031 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HSP90AA1 P07900 1/20 0.35
S1PR1 P21453 1/20 0.35

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
SCHEMBL27920799 0.89 PTPRB (0.80) PTPRB
SCHEMBL679472 0.89 PTPRB (0.80) PTPRBPTPN1
SCHEMBL679471 0.89 PTPRB (0.80) PTPRBPTPN1
SCHEMBL28828130 0.87 PTPRB (0.65) PTPRBPTPN1
SCHEMBL24309003 0.79 PTPRB (0.83) PTPRB
SCHEMBL468266 0.78 PTPRB (1.00) PTPRB
SCHEMBL468270 0.78 PTPRB (1.00) PTPRB
SCHEMBL20060124 0.77 PTPRB (0.83) PTPRB
SCHEMBL27939325 0.77 PTPRB (0.60) PTPRBPTPN1
SCHEMBL27920739 0.76 PTPRB (0.75) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103347565-A Compositions and methods for treating ocular edema, neovascularization, and related diseases AKEBIA THERAPEUTICS INC 2013-10-09 CN claimed
CN-103347565-A Compositions and methods for treating ocular edema, neovascularization, and related diseases AKEBIA THERAPEUTICS INC 2013-10-09 CN disclosed