SCHEMBL20060126

SCHEMBL20060126

CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(N[SH](=O)=O)cc1)c1nc(-c2ccsc2)cs1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 20/20 0.78

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
SCHEMBL21514685 0.92 PTPRB (0.79) PTPRB
SCHEMBL21699540 0.91 PTPRB (0.66) PTPRB
SCHEMBL679377 0.88 PTPRB (1.00) PTPRB
SCHEMBL680773 0.88 PTPRB (1.00) PTPRB
SCHEMBL19775587 0.85 PTPRB (0.77) PTPRB
SCHEMBL19775508 0.84 PTPRB (0.77) PTPRB
SCHEMBL20060102 0.83 PTPRB (0.77) PTPRB
SCHEMBL28828050 0.83 PTPRB (0.77) PTPRB
SCHEMBL22600467 0.81 PTPRB (0.88) PTPRB
SCHEMBL679349 0.80 PTPRB (1.00) 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-3977994-A1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE Aerpio Pharmaceuticals, Inc. (US) 2022-04-06 EP disclosed
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