SCHEMBL19775469

SCHEMBL19775469

COc1cccc(Cc2cnc(N[C@@H](Cc3ccc(N[SH](=O)=O)cc3)c3csc(C)n3)o2)c1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 10/20 0.38
LTA4H P09960 1/20 0.33
JAK2 O60674 1/20 0.32
PTK2 Q05397 1/20 0.32
RAB9A P51151 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
CPB1 P15086 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
DHFR P00374 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
SCHEMBL500905 0.88 PTPRB (0.52) PTPRB
SCHEMBL29794287 0.88 PTPRB (0.52) PTPRB
SCHEMBL500904 0.88 PTPRB (0.52) PTPRB
SCHEMBL21514666 0.80 PTPRB (0.34) PTPRBMTNR1AMTNR1B
SCHEMBL19775498 0.80 VCP (0.43) PTPRBALDH1A1LMNA
SCHEMBL468205 0.80 PTPRB (0.42) PTPRB
SCHEMBL21699639 0.79 VCP (0.43) PTPRBPTK2
SCHEMBL20810397 0.78 PTPRB (0.42) PTPRB
SCHEMBL20060097 0.77 PTPRB (0.37) PTPRBALDH1A1
SCHEMBL24767309 0.75 PTPRB (0.41) PTPRBRAB9ANPC1

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-3607821-A1 COMPOSITIONS, FORMULATIONS AND METHODS FOR TREATING OCULAR DISEASES Aerpio Therapeutics, Inc. (US) 2020-02-12 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
EP-2624916-B1 THIADIAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF OCULAR EDEMA AERPIO THERAPEUTICS INC (US) 2018-01-17 EP disclosed