SCHEMBL20060103

SCHEMBL20060103

Cc1nc(Cc2nnc(N[C@@H](Cc3ccc(N[SH](=O)=O)cc3)c3csc(-c4cccs4)n3)s2)cs1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.78
KDM4E B2RXH2 6/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.31
NPC1 O15118 2/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31

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
SCHEMBL19775515 0.88 PTPRB (0.77) PTPRBKDM4ERAB9ALMNAGAA
SCHEMBL500149 0.88 PTPRB (1.00) PTPRB
SCHEMBL468343 0.88 PTPRB (1.00) PTPRB
SCHEMBL19775430 0.86 PTPRB (0.77) PTPRBKDM4ERAB9ALMNANPC1
SCHEMBL21514682 0.85 PTPRB (0.65) PTPRBKDM4ERAB9AGAATSHR
SCHEMBL19775432 0.83 PTPRB (0.79) PTPRBKDM4ERAB9ATSHRNPC1
SCHEMBL20060120 0.81 PTPRB (0.56) PTPRBKDM4ERAB9ALMNA
SCHEMBL20059874 0.80 PTPRB (0.55) PTPRB
SCHEMBL24319107 0.79 PTPRB (0.51) PTPRBKDM4ERAB9ALMNANPC1
SCHEMBL16239452 0.79 PTPRB (0.85) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4101297-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Pharmaceuticals, Inc. (US) 2022-12-14 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-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 EP disclosed
EP-2967066-B1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES AERPIO THERAPEUTICS INC (US) 2019-10-23 EP disclosed
EP-2385763-B1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AERPIO THERAPEUTICS INC (US) 2018-04-18 EP disclosed