SCHEMBL3391356

SCHEMBL3391356

Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccc(S(=O)(=O)Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.52
NPSR1 Q6W5P4 1/20 0.52
KMT2A Q03164 1/20 0.51
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.44
LMNA P02545 2/20 0.44
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTT P42858 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MMP1 P03956 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
TSHR P16473 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL5761722 0.87 GAA (0.56) GAANPSR1KMT2AALDH1A1LMNA
SCHEMBL5762956 0.86 KMT2A (0.44) GAANPSR1KMT2AALDH1A1HPGD
SCHEMBL5761990 0.85 KMT2A (0.50) GAANPSR1KMT2AALDH1A1HPGD
SCHEMBL5361897 0.84 KMT2A (0.43) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL5760942 0.82 KMT2A (0.45) GAANPSR1KMT2AALDH1A1HPGD
SCHEMBL5760945 0.81 KMT2A (0.43) GAANPSR1KMT2AALDH1A1HPGD
SCHEMBL2346864 0.81 GAA (0.77) GAANPSR1ALDH1A1HPGDPOLB
SCHEMBL5760908 0.81 GAA (0.43) GAAKMT2AALDH1A1HPGDLMNA
SCHEMBL5763384 0.81 LMNA (0.52) GAAKMT2AALDH1A1LMNACYP1A2
SCHEMBL5368616 0.80 ALDH1A1 (0.56) GAAKMT2AALDH1A1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ALEVIUM PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ALEVIUM PHARMACEUTICALS, INC. 2010-05-06 US disclosed
WO-2008036201-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE 1H-IMIDAZO[4,5-B] PYRIDINE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
WO-2008036211-A1 PRODRUGS OF PROTON PUMP INHIBITORS INCLUDING THE (1H-PYRROL-1-YL)-1H-BENZIMIDAZOLE MOIETY ALEVIUM PHARMACEUTICALS, INC. (US) 2008-03-27 WO disclosed
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 (5 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 83/4885NPSR1 1107/4885KMT2A 2483/4885
US-20100317689-A1 Prodrugs of proton pump inhibitors including the 1h-imidazo[4,5-b] pyridine moiety ABCB11, ATP6AP1, CYP4B1 GAA 406/4885NPSR1 676/4885KMT2A 1889/4885
US-20100113524-A1 Prodrugs of proton pump inhibitors including the (1h-pyrrol-1-yl)-1h-benzimidazole moiety ABCB11, ATP6AP1, PAH GAA 255/4885NPSR1 650/4885KMT2A 2644/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI GAA 69/4885NPSR1 1066/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI GAA 80/4885NPSR1 1151/4885KMT2A 2545/4885

“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.