SCHEMBL20060078

SCHEMBL20060078

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(N[SH](=O)=O)cc1)c1nc(-c2ccsc2)cs1

nearest known ligand 0.77

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.77

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
SCHEMBL19775221 0.89 PTPRB (0.76) PTPRB
SCHEMBL468057 0.87 PTPRB (1.00) PTPRB
SCHEMBL468056 0.87 PTPRB (1.00) PTPRB
SCHEMBL20059900 0.85 PTPRB (0.62) PTPRB
SCHEMBL19775193 0.83 PTPRB (0.75) PTPRB
SCHEMBL19775558 0.83 PTPRB (0.79) PTPRB
SCHEMBL468054 0.83 PTPRB (0.75) PTPRB
SCHEMBL27750835 0.83 PTPRB (0.75) PTPRB
SCHEMBL19775195 0.83 PTPRB (0.75) PTPRB
SCHEMBL21514685 0.82 PTPRB (0.79) 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 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-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