SCHEMBL20060148

SCHEMBL20060148

O=[SH](=O)Nc1ccc(C[C@H](Nc2nnc(-c3ccccc3)s2)c2csc(-c3ccccc3)n2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 14/20 0.72
NPC1 O15118 3/20 0.36
RAB9A P51151 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CTSK P43235 1/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL19649502 0.92 PTPRB (0.74) PTPRBNPC1RAB9ACTSKSMN1; SMN2
SCHEMBL23770353 0.89 PTPRB (0.59) PTPRBCTSK
SCHEMBL19775423 0.87 PTPRB (0.55) PTPRBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL468153 0.84 PTPRB (1.00) PTPRB
SCHEMBL468155 0.84 PTPRB (1.00) PTPRB
SCHEMBL19775519 0.84 PTPRB (0.53) PTPRBCTSK
SCHEMBL19775515 0.82 PTPRB (0.77) PTPRBNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL19775531 0.80 PTPRB (0.48) PTPRB
SCHEMBL20059851 0.79 PTPRB (0.51) PTPRBNPC1RAB9ASMN1; SMN2
SCHEMBL20060094 0.79 KMT2A (0.54) PTPRBNPC1RAB9ASMN1; SMN2MEN1

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-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-2451279-B1 BENZOSULFONAMIDE DERIVATIVES, COMPOSITIONS THEREOF, AND THEIR USE IN PREVENTING METASTASIS OF CANCER CELLS AERPIO THERAPEUTICS INC (US) 2019-03-13 EP disclosed
EP-2385763-B1 METHODS FOR TREATING VASCULAR LEAK SYNDROME AERPIO THERAPEUTICS INC (US) 2018-04-18 EP disclosed