SCHEMBL5764307

SCHEMBL5764307

COc1ccc(N(N)S(=O)(=O)c2ccc(CCC(=O)OCCS(=O)(=O)c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.52
LMNA P02545 5/20 0.48
MAPT P10636 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
TP53 P04637 1/20 0.44
KMT2A Q03164 4/20 0.44
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 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
SCHEMBL5761888 0.86 ALDH1A1 (0.49) ALDH1A1LMNAMAPTL3MBTL1TP53
SCHEMBL28429406 0.77 TP53 (0.59) ALDH1A1LMNAMAPTTP53CNR1
SCHEMBL5368616 0.77 ALDH1A1 (0.56) ALDH1A1LMNAL3MBTL1KMT2AGAA
SCHEMBL5365137 0.76 ALDH1A1 (0.48) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL5762315 0.75 PAX8 (0.45) ALDH1A1LMNAMAPTTP53KMT2A
SCHEMBL14578750 0.73 LMNA (0.61) ALDH1A1LMNAKMT2AGAA
SCHEMBL5359176 0.72 MEN1 (0.55) ALDH1A1LMNAMAPTKMT2A
SCHEMBL5370611 0.71 ALDH1A1 (0.43) ALDH1A1LMNAMAPTL3MBTL1KMT2A
SCHEMBL5760505 0.70 ALDH1A1 (0.54) ALDH1A1LMNAKMT2AGAA
SCHEMBL15164347 0.69 F2RL1 (0.62) ALDH1A1LMNAMAPTL3MBTL1KMT2A

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 5 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
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

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 ALDH1A1 397/4885LMNA 4395/4885MAPT 4100/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885LMNA 4347/4885MAPT 4128/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885LMNA 4415/4885MAPT 4098/4885

“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.