SCHEMBL16573542

SCHEMBL16573542

C[C@@H](Cc1ccc(NS(=O)(=O)O)cc1)c1csc(-c2ccccc2)n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTPRB P23467 19/20 0.67
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL19649516 0.87 PTPRB (0.68) PTPRB
SCHEMBL22627135 0.86 PTPRB (0.64) PTPRB
SCHEMBL16573545 0.86 PTPRB (0.64) PTPRB
SCHEMBL12084628 0.81 PTPRB (0.72) PTPRB
SCHEMBL16573550 0.81 PTPRB (0.58) PTPRB
SCHEMBL14652301 0.81 PTPRB (0.69) PTPRB
SCHEMBL468155 0.80 PTPRB (1.00) PTPRB
SCHEMBL468153 0.80 PTPRB (1.00) PTPRB
SCHEMBL14305275 0.80 PTPRB (0.70) PTPRB
SCHEMBL468188 0.79 PTPRB (0.78) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038265-B1 Human protein-tyrosine phosphatase inhibitors and methods of use AERPIO THERAPEUTICS INC (US) 2015-03-18 — — EP disclosed
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