SCHEMBL5761722

SCHEMBL5761722

Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 3/20 0.47
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RECQL P46063 1/20 0.46
ATM Q13315 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 1/20 0.45
TP53 P04637 1/20 0.45
RAB9A P51151 1/20 0.45
MEN1 O00255 1/20 0.44

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
SCHEMBL5763384 0.88 LMNA (0.52) GAALMNAKMT2AALDH1A1RECQL
SCHEMBL3391356 0.87 GAA (0.52) GAALMNANPSR1KMT2AALDH1A1
SCHEMBL5761990 0.87 KMT2A (0.50) GAALMNANPSR1KMT2AALDH1A1
SCHEMBL5762956 0.81 KMT2A (0.44) GAALMNANPSR1KMT2AALDH1A1
SCHEMBL14578750 0.80 LMNA (0.61) GAALMNAKMT2AALDH1A1
SCHEMBL5763312 0.80 KDM4E (0.45) GAALMNANPSR1KMT2AALDH1A1
SCHEMBL5761317 0.79 POLB (0.44) GAALMNAKMT2AALDH1A1POLB
SCHEMBL5361897 0.77 KMT2A (0.43) GAALMNAKMT2AALDH1A1TDP1
SCHEMBL14578756 0.77 ALDH1A1 (0.58) GAALMNAKMT2AALDH1A1NPC1
SCHEMBL15908103 0.76 GAA (0.62) GAALMNANPSR1KMT2ATDP1

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-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
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
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US disclosed
US-20040102484-A1 Prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2004-05-27 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 (3 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-20040102484-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 83/4885LMNA 4395/4885NPSR1 1107/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI GAA 69/4885LMNA 4347/4885NPSR1 1066/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 80/4885LMNA 4415/4885NPSR1 1151/4885

“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.