SCHEMBL23728148

SCHEMBL23728148

COC(=O)c1cc(Cl)c(C(F)(F)F)cc1C(C)Br

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CFTR P13569 5/20 0.42
MAPT P10636 3/20 0.41
NOTUM Q6P988 4/20 0.41
SOS1 Q07889 1/20 0.40
P2RX7 Q99572 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
GAA P10253 3/20 0.38
KDR P35968 1/20 0.36
PDK1 Q15118 1/20 0.36
LMNA P02545 2/20 0.35
RAB9A P51151 1/20 0.34

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
SCHEMBL9720001 0.84 HTT (0.46) MAPTKDM4EHTTGAALMNA
SCHEMBL23727828 0.80 NOTUM (0.51) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL23745445 0.79 CFTR (0.43) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL23727491 0.78 CFTR (0.47) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL22203102 0.78 CFTR (0.47) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL23040878 0.77 CFTR (0.68) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL23727489 0.75 CFTR (0.44) CFTRMAPTNOTUMSOS1HTT
SCHEMBL27447768 0.75 CFTR (0.47) CFTRMAPTNOTUMSOS1GAA
SCHEMBL30039399 0.74 CFTR (0.43) CFTRMAPTNOTUMSOS1KDM4E
SCHEMBL27699890 0.74 CFTR (0.56) CFTRNOTUMSOS1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115052596-B ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2024-06-14 CN disclosed
CN-117136051-A Prodrugs of ADAMTS inhibitors, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-11-28 CN disclosed
WO-2023011547-A1 CRYSTAL FORM OF COMPOUND INHIBITING FUNCTION OF ADAMTS-5 AND/OR ADAMTS-4, AND PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恒瑞医药股份有限公司 2023-02-09 WO disclosed
EP-4100005-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2022-12-14 EP disclosed
WO-2022212638-A1 PRODRUGS OF ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2022-10-06 WO disclosed
CN-115052596-A ADAMTS inhibitor, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2022-09-13 CN disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed
WO-2021158626-A1 ADAMTS INHIBITORS, PREPARATION METHODS AND MEDICINAL USES THEREOF Eternity Bioscience Inc. (US) 2021-08-12 WO disclosed