SCHEMBL6229358

SCHEMBL6229358

Cc1ccccc1S(=O)(=O)CCOC(=O)COc1cc(C)c(S(=O)(=O)Cl)c(C)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MCL1 Q07820 7/20 0.37
ATM Q13315 2/20 0.37
NPSR1 Q6W5P4 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
HPGD P15428 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL5762956 0.83 KMT2A (0.44) GAALMNAMCL1NPSR1HPGD
SCHEMBL6503068 0.81 MCL1 (0.42) GAAMAPTLMNAMCL1NPSR1
SCHEMBL15413021 0.78 LMNA (0.47) MAPTLMNAATMHPGDL3MBTL1
SCHEMBL5763589 0.75 ALDH1A1 (0.39) GAAMCL1NPSR1HPGDL3MBTL1
SCHEMBL11326368 0.74 KEAP1 (0.43) GAALMNANPSR1KEAP1NFE2L2
SCHEMBL14356223 0.74 PTGS2 (0.46) GAALMNACYP2C19HPGDL3MBTL1
SCHEMBL9187527 0.71 HMGB1 (0.40) MCL1CYP1A2CYP3A4CYP2C19HPGD
SCHEMBL2844789 0.71 KEAP1 (0.43) GAAMAPTLMNANPSR1KEAP1
SCHEMBL5367871 0.71 MCL1 (0.55) GAALMNAMCL1HPGDKDM4E
SCHEMBL15412587 0.71 OGG1 (0.43) LMNAMCL1HPGDL3MBTL1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050182101-A1 Prodrugs of proton pump inhibitors GARST MICHAEL (US) 2005-08-18 US disclosed
EP-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention GARST MICHAEL (US) 2005-06-30 US disclosed
WO-2004009583-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR GARST MICHAEL E (US) 2004-01-29 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI GAA 69/4885MAPT 4128/4885LMNA 4347/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 80/4885MAPT 4098/4885LMNA 4415/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.