SCHEMBL5763384

SCHEMBL5763384

Cc1ccc(S(=O)(=O)CCOC(=O)COc2ccccc2OCC(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.52
ALDH1A1 P00352 6/20 0.48
KMT2A Q03164 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
MEN1 O00255 2/20 0.45
MAPT P10636 2/20 0.45
GAA P10253 2/20 0.44
CYP1A2 P05177 1/20 0.44
RECQL P46063 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
SCHEMBL5761317 0.89 POLB (0.44) LMNAALDH1A1KMT2AL3MBTL1CYP2C19
SCHEMBL5761722 0.88 GAA (0.56) LMNAALDH1A1KMT2AMEN1MAPT
SCHEMBL5361897 0.85 KMT2A (0.43) LMNAALDH1A1KMT2AL3MBTL1CYP3A4
SCHEMBL5761990 0.83 KMT2A (0.50) LMNAALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL11703033 0.82 ALDH1A1 (0.56) LMNAALDH1A1KMT2AL3MBTL1CYP3A4
SCHEMBL5760942 0.82 KMT2A (0.45) LMNAALDH1A1KMT2AL3MBTL1GAA
SCHEMBL14578750 0.81 LMNA (0.61) LMNAALDH1A1KMT2ACYP3A4CYP2C9
SCHEMBL3391356 0.81 GAA (0.52) LMNAALDH1A1KMT2ACYP3A4CYP2C19
SCHEMBL5760908 0.79 GAA (0.43) LMNAALDH1A1KMT2AMEN1GAA
SCHEMBL5761411 0.79 ALDH1A1 (0.38) LMNAALDH1A1KMT2AL3MBTL1CYP3A4

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 LMNA 4395/4885ALDH1A1 397/4885KMT2A 2483/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI LMNA 4347/4885ALDH1A1 405/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI LMNA 4415/4885ALDH1A1 494/4885KMT2A 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.