SCHEMBL29595880

SCHEMBL29595880

CS(=O)(=O)c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
HSD17B2 P37059 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
EDNRB P24530 2/20 0.44
EDNRA P25101 2/20 0.44
MMP2 P08253 2/20 0.44
PGR P06401 1/20 0.42
MBTD1 Q05BQ5 1/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
BRD4 O60885 1/20 0.41

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
SCHEMBL265696 1.00 PTGS2 (0.46) PTGS2AKR1C3AKR1C2HSD17B2ATM
SCHEMBL1887800 0.83 TAAR1 (0.46) PTGS2AKR1C3AKR1C2ALDH1A1MMP2
SCHEMBL10051059 0.83 CA1 (0.55) ALDH1A1
SCHEMBL18640198 0.83 HSD17B2 (0.43) PTGS2HSD17B2ATMALDH1A1MAPK1
SCHEMBL23913703 0.81 ALDH1A1 (0.48) HSD17B2ATMALDH1A1MAPK1EDNRB
SCHEMBL3679487 0.81 LMNA (0.54) HSD17B2ATMALDH1A1EDNRBEDNRA
SCHEMBL31668877 0.81 LMNA (0.54) HSD17B2ATMALDH1A1EDNRBEDNRA
SCHEMBL31391247 0.81 LMNA (0.54) HSD17B2ATMALDH1A1EDNRBEDNRA
SCHEMBL3035464 0.79 ATM (0.46) HSD17B2ATMALDH1A1MAPK1EDNRB
SCHEMBL99072 0.78 PSIP1 (0.56) HSD17B2ATMALDH1A1MAPK1EDNRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 WO disclosed
CN-119137100-A Process and intermediates for the preparation of pridopidine 普瑞尼亚神经治疗有限公司 2024-12-13 CN disclosed
CN-112778276-B Compounds as SHP2 inhibitors and uses thereof 南京圣和药业股份有限公司 2024-08-20 CN disclosed
CN-114980886-B Compounds and methods for treating oxalate-related diseases 奥沙鲁克斯公司 2024-08-09 CN disclosed
CN-117651699-A Compounds and compositions for the treatment of coronavirus related diseases 诺华股份有限公司 2024-03-05 CN disclosed
CN-111170991-B Antiproliferative compounds and methods of synthesis thereof 细胞基因公司 2023-10-31 CN disclosed
EP-4263520-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2023-10-25 EP disclosed
EP-4208456-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2023-07-12 EP disclosed
EP-4168398-A1 TYK-2 INHIBITOR BeiGene, Ltd. (KY) 2023-04-26 EP disclosed
CN-115715288-A TYK-2 inhibitors 百济神州有限公司 2023-02-24 CN disclosed
CN-111471003-B Preparation method of sitagliptin intermediate 上海皓元医药股份有限公司 2022-09-23 CN disclosed
CN-114980886-A Compounds and methods for treating oxalate-related diseases 奥沙鲁克斯公司 2022-08-30 CN disclosed
WO-2022133529-A1 HETEROCYCLIC INHIBITORS OF PCSK9 Cardio Therapeutics Pty Ltd (AU) 2022-06-30 WO disclosed
EP-4017490-A1 COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES Oxalurx, Inc. (US) 2022-06-29 EP disclosed
CN-111518002-B Thioether compound, preparation method thereof, medical intermediate and application thereof 南京林业大学 2022-06-21 CN disclosed
CN-109153642-B Indole and azaindole halogenated allylamine derivative inhibitors of lysyl oxidase and uses thereof 法玛西斯有限公司 2022-05-17 CN disclosed