SCHEMBL28906830

SCHEMBL28906830

COC(=O)c1ccc(C(F)(F)F)cc1N(C(C)C)[SH](=O)=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.55
KDM4E B2RXH2 5/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 3/20 0.38
ALDH1A1 P00352 2/20 0.38
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CES2 O00748 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
LMNA P02545 3/20 0.37
GAA P10253 3/20 0.37
NOTUM Q6P988 1/20 0.37
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
PARP14 Q460N5 1/20 0.35

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
SCHEMBL21176556 0.81 CFTR (0.57) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL7550401 0.78 CFTR (0.57) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL7554661 0.77 KMT2A (0.59) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL29243244 0.75 CFTR (0.50) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL22263091 0.75 CFTR (0.73) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL167426 0.74 CFTR (0.71) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL28510653 0.72 CFTR (0.47) CFTRKDM4EMAPTMRGPRX4
SCHEMBL694388 0.72 CFTR (0.69) CFTRKDM4EHPGDALDH1A1HSD17B10
SCHEMBL422201 0.72 CFTR (0.69) CFTRKDM4EMAPTHPGDALDH1A1
SCHEMBL28172968 0.72 CFTR (0.69) CFTRKDM4EMAPTHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112204008-B Sulfonylaminobenzamides and sulfonylaminobenzamide derivatives 奥索生物公司 2024-07-05 CN disclosed
CN-112204008-A Sulphonylaminobenzylamide and sulphonylaminobenzamide derivatives 吉利德科学公司 2021-01-08 CN disclosed