SCHEMBL5765462

SCHEMBL5765462

COc1ccc(N([N+](=O)[O-])S(=O)(=O)c2cc(C(=O)OCCS(=O)(=O)c3ccc(C)cc3)ccc2OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.43
TP53 P04637 4/20 0.42
LMNA P02545 3/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.42
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
KMT2A Q03164 1/20 0.40
GAA P10253 1/20 0.39
THRB P10828 1/20 0.38

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
SCHEMBL5762315 0.87 PAX8 (0.45) PAX8TP53LMNAALDH1A1POLB
SCHEMBL5366521 0.78 PAX8 (0.54) PAX8LMNAALDH1A1POLBMAPT
SCHEMBL5366557 0.77 MAPT (0.49) LMNAALDH1A1POLBMAPTCYP2C9
SCHEMBL5761888 0.76 ALDH1A1 (0.49) TP53LMNAALDH1A1MAPTNPSR1
SCHEMBL5366708 0.74 LMNA (0.47) PAX8LMNAALDH1A1POLBMAPT
SCHEMBL5358306 0.73 PAX8 (0.42) PAX8LMNAALDH1A1POLBMAPT
SCHEMBL5358313 0.71 PAX8 (0.40) PAX8ALDH1A1POLBMAPTNPSR1
SCHEMBL14578755 0.71 KMT2A (0.57) PAX8LMNAALDH1A1MAPTCYP1A2
SCHEMBL5358308 0.69 PAX8 (0.41) PAX8LMNAALDH1A1POLBMAPT
SCHEMBL5763446 0.69 ALDH1A1 (0.48) PAX8ALDH1A1MAPTCYP2C9KMT2A

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 4 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-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 (2 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 PAX8 3472/4885TP53 1314/4885LMNA 4395/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI PAX8 3575/4885TP53 1233/4885LMNA 4415/4885

“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.