SCHEMBL23770076

SCHEMBL23770076

CCc1c[nH]c([C@H](Cc2ccc(N[SH](=O)=O)cc2)NC(=O)Cc2ccccc2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRB P23467 12/20 0.50
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
PSMB8 P28062 2/20 0.38
PSMB5 P28074 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL24767156 0.91 PTPRB (0.51) PTPRBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24318145 0.88 PTPRB (0.53) PTPRBCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL24319129 0.86 PTPRB (0.55) PTPRBCYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL24318259 0.86 PTPRB (0.68) PTPRB
SCHEMBL23770161 0.85 PTPRB (0.53) PTPRBPSMB8PSMB5
SCHEMBL24318149 0.83 PTPRB (0.45) PTPRBCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL24319135 0.83 PTPRB (0.56) PTPRBKMT2AMEN1ALDH1A1
SCHEMBL23769990 0.82 PTPRB (0.56) PTPRB
SCHEMBL24767062 0.82 PTPRB (0.38) PTPRBCYP2D6CYP2C19
SCHEMBL24767308 0.81 ALDH1A1 (0.36) PTPRBALDH1A1

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 3 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-3352856-B1 ACTIVATORS OF TIE-2 FOR USE IN TREATING INTRAOCULAR PRESSURE AERPIO PHARMACEUTICALS INC (US) 2021-08-18 EP disclosed