SCHEMBL28410550

SCHEMBL28410550

Cc1ccc(S(=O)(=O)OCCC2CCC(NC(=O)OC(C)(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.47
DRD3 P35462 2/20 0.44
MAOB P27338 2/20 0.42
KDM1A O60341 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 2/20 0.40
ACACB O00763 1/20 0.40
MAOA P21397 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL23331070 0.91 MAOB (0.42) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL942085 0.90 DRD2 (0.46) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL9885083 0.90 DRD2 (0.46) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL942084 0.90 DRD2 (0.46) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL965092 0.85 DRD2 (0.44) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL6642035 0.85 DRD2 (0.44) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL25318818 0.85 DRD2 (0.44) DRD2DRD3MAOBKDM1AHPGD
SCHEMBL27091219 0.84 MAOB (0.41) DRD2MAOBKDM1AKMT2AMAOA
SCHEMBL25322036 0.83 MAOB (0.43) MAOBKDM1AKMT2AACACBMAOA
SCHEMBL29013154 0.83 GPR119 (0.43) KMT2AACACBALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4652161-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS Uppthera, Inc. (KR) 2025-11-26 EP disclosed
WO-2024155112-A1 2,4-DIANILINOPYRIMIDINE-BASED AURORA-A KINASE SELECTIVE DEGRADATION INDUCING COMPOUNDS UPPTHERA, INC. (KR) 2024-07-25 WO disclosed
CN-111269199-B Preparation method of cariprazine 浙江京新药业股份有限公司 2022-04-08 CN disclosed
CN-111269211-B Preparation method of benzothiophene derivative 浙江京新药业股份有限公司 2021-07-02 CN disclosed
CN-111100112-B Benzothiophene derivative and process for producing the same 浙江京新药业股份有限公司 2021-05-04 CN disclosed
CN-111269199-A Preparation method of cariprazine 浙江京新药业股份有限公司 2020-06-12 CN disclosed
CN-111269211-A Preparation method of benzothiophene derivative 浙江京新药业股份有限公司 2020-06-12 CN disclosed
CN-111100112-A Benzothiophene derivative and process for producing the same 浙江京新药业股份有限公司 2020-05-05 CN disclosed
CN-111100110-A Process for preparing 7-piperazinylbenzothiophenes or salts thereof 浙江京新药业股份有限公司 2020-05-05 CN disclosed