SCHEMBL5763312

SCHEMBL5763312

Cc1ccc(S(=O)(=O)CCOC(=O)COc2cc(C)cc(C(C)C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL5761990 0.90 KMT2A (0.50) KDM4EKMT2AALDH1A1GAANPSR1
SCHEMBL5763589 0.81 ALDH1A1 (0.39) KDM4EKMT2AALDH1A1GAANPSR1
SCHEMBL5762956 0.81 KMT2A (0.44) KDM4EKMT2AALDH1A1GAANPSR1
SCHEMBL5761722 0.80 GAA (0.56) KMT2AALDH1A1GAANPSR1POLB
SCHEMBL3391356 0.78 GAA (0.52) KDM4EKMT2AALDH1A1GAANPSR1
SCHEMBL5763384 0.76 LMNA (0.52) KMT2AALDH1A1GAALMNA
SCHEMBL14578750 0.73 LMNA (0.61) KMT2AALDH1A1GAALMNA
SCHEMBL5361897 0.73 KMT2A (0.43) KDM4EKMT2AALDH1A1GAAHTT
SCHEMBL13797458 0.72 ALDH1A1 (0.53) KMT2AALDH1A1GAAPOLBLMNA
SCHEMBL18748725 0.72 ALDH1A1 (0.49) KMT2AALDH1A1GAAPOLBLMNA

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 KDM4E 1754/4885KMT2A 2483/4885ALDH1A1 397/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI KDM4E 1796/4885KMT2A 2592/4885ALDH1A1 405/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI KDM4E 1670/4885KMT2A 2545/4885ALDH1A1 494/4885

“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.