SCHEMBL9201482

SCHEMBL9201482

O=C1CSC[C@@H](C(=O)O)N1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
CAD P27708 2/20 0.42
CYP2D6 P10635 2/20 0.36
LMNA P02545 2/20 0.36
BLM P54132 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
PMP22 Q01453 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGB2 P05107 1/20 0.32
ITGB1 P05556 1/20 0.32

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
SCHEMBL5683288 1.00 HTT (0.46) HTTCADCYP2D6LMNABLM
SCHEMBL8974020 1.00 HTT (0.46) HTTCADCYP2D6LMNABLM
Trifluoroacetic Acid SCHEMBL31548889 0.89 HTT (0.39) HTTCAD
SCHEMBL14286751 0.82 HTT (0.33) HTTCADKMT2A
SCHEMBL10553644 0.80 HTT (0.43) HTTCADMAPTMAPK1ITGB3
SCHEMBL10101200 0.77 KMT2A (0.53) KMT2A
SCHEMBL23370679 0.76 ITGB3 (0.33) LMNAKMT2AITGB3ITGB2ITGB1
SCHEMBL17169893 0.71 HTT (0.46) HTTCADCYP2D6LMNABLM
SCHEMBL16467758 0.70 CAD (0.48) HTTCADCYP2D6LMNABLM
Procysteine SCHEMBL9139321 0.70 HTT (0.53) HTTCADCYP2D6LMNABLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4067341-A1 METHOD FOR PREPARING CARBOCISTEINE Wuhan Grand Hoyo Co., Ltd. (CN) 2022-10-05 EP claimed
WO-2022106646-A1 LACTAM AND LACTONE DERIVATIVES OF FORMULA (IA) FOR USE IN THE TREATMENT OF DISEASES CAUSED BY A CORONAVIRUS INFECTION AND/OR A VIRAL RESPIRATORY INFECTION Université Catholique de Louvain (BE) 2022-05-27 WO claimed
CN-118731224-A Method for detecting substances related to carbocisteine oral solution 杭州百诚医药科技股份有限公司 2024-10-01 CN disclosed
EP-4067341-B1 METHOD FOR PREPARING CARBOCISTEINE WUHAN GRAND HOYO CO LTD (CN) 2024-07-03 EP disclosed
CN-114746399-B Preparation method of carbocisteine 武汉远大弘元股份有限公司 2024-05-24 CN disclosed
EP-4067341-A1 METHOD FOR PREPARING CARBOCISTEINE Wuhan Grand Hoyo Co., Ltd. (CN) 2022-10-05 EP disclosed
EP-0677048-A1 CYCLIC SULFONE CONTAINING RETROVIRAL PROTEASE INHIBITORS. SEARLE & CO (US) 1995-10-18 EP disclosed