SCHEMBL19649502

SCHEMBL19649502

Cc1nnc(N[C@@H](Cc2ccc(N[SH](=O)=O)cc2)c2csc(-c3ccccc3)n2)s1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 16/20 0.74
CTSK P43235 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL20060148 0.92 PTPRB (0.72) PTPRBCTSKMEN1NPC1RAB9A
SCHEMBL468105 0.85 PTPRB (1.00) PTPRB
SCHEMBL468103 0.85 PTPRB (1.00) PTPRB
SCHEMBL24319137 0.85 PTPRB (0.75) PTPRBCTSKLDHALDHBMEN1
SCHEMBL19775423 0.83 PTPRB (0.55) PTPRBLMNAMAPTMEN1NPC1
SCHEMBL23770353 0.83 PTPRB (0.59) PTPRBCTSK
SCHEMBL500260 0.83 PTPRB (0.69) PTPRBLMNAMAPTHTTMEN1
SCHEMBL500261 0.83 PTPRB (0.69) PTPRBLMNAMAPTHTTMEN1
SCHEMBL19775519 0.81 PTPRB (0.53) PTPRBCTSK
SCHEMBL20059851 0.80 PTPRB (0.51) PTPRBLMNAMAPTNPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3977994-A1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE Aerpio Pharmaceuticals, Inc. (US) 2022-04-06 EP disclosed
EP-3352856-B1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE AERPIO PHARMACEUTICALS INC (US) 2021-08-18 EP disclosed
EP-2967066-B1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2803663-B1 Human protein tyrosine phosphatase inhibitors and their pharmaceutical use AERPIO THERAPEUTICS INC (US) 2017-11-29 EP disclosed