SCHEMBL20060124

SCHEMBL20060124

COC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N[SH](=O)=O)cc1)c1csc(CS(=O)(=O)c2ccc(Cl)cc2)n1

nearest known ligand 0.83

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.83

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
SCHEMBL19775536 0.93 PTPRB (0.72) PTPRB
SCHEMBL468266 0.91 PTPRB (1.00) PTPRB
SCHEMBL468270 0.91 PTPRB (1.00) PTPRB
SCHEMBL24309003 0.90 PTPRB (0.83) PTPRB
SCHEMBL21514860 0.89 PTPRB (0.85) PTPRB
SCHEMBL27920799 0.88 PTPRB (0.80) PTPRB
SCHEMBL19775397 0.87 PTPRB (0.82) PTPRB
SCHEMBL19775189 0.85 PTPRB (0.77) PTPRB
SCHEMBL8282859 0.83 PTPRB (0.86) PTPRB
SCHEMBL8827904 0.83 PTPRB (0.86) 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-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