SCHEMBL22384253

SCHEMBL22384253

CC(C)(C)OC(=O)C(Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1ccc(C(C)(C)C)s1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
POLB P06746 3/20 0.41
MLYCD O95822 1/20 0.41
P2RX7 Q99572 6/20 0.40
KDM4E B2RXH2 1/20 0.39
KDM4A O75164 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
ATM Q13315 1/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
PAX8 Q06710 1/20 0.38

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
SCHEMBL15037037 1.00 MAPT (0.41) MAPTTDP1POLBMLYCDP2RX7
SCHEMBL15020021 0.90 KDM4E (0.48) KDM4EKDM4AMCL1
SCHEMBL15020163 0.90 KDM4E (0.48) KDM4EKDM4AMCL1
SCHEMBL19485485 0.85 MAPT (0.55) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL22384086 0.84 ALOX5AP (0.38) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL17834709 0.84 ALOX5AP (0.38) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL22384302 0.84 CTSS (0.47) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL15096417 0.84 MAPT (0.44) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL17834705 0.84 CTSS (0.47) MAPTTDP1POLBMLYCDNPSR1
SCHEMBL22384223 0.84 LY96 (0.50) MAPTTDP1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107074820-B GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-05-18 CN disclosed
CN-112457301-A Novel GLP-1 receptor modulators 赛尔基因第二国际有限公司 2021-03-09 CN disclosed
EP-3008056-B1 NOVEL GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-12-09 EP disclosed
EP-2791112-B1 CARBOXYLIC ACID DERIVATIVES COMPRISING FOUR CYCLES ACTING AS GLP-1 RECEPTOR MODULATORS FOR THERAPY OF DISEASES SUCH AS DIABETES CELGENE INT II SÀRL (CH) 2020-09-23 EP disclosed
EP-3230276-B1 GLP-1 RECEPTOR MODULATORS CELGENE INT II SARL (CH) 2020-09-02 EP disclosed