SCHEMBL5364442

SCHEMBL5364442

COC(=O)C(C)(C)COc1cc(C)c(S(=O)(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c(C)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
MAPT P10636 6/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
LMNA P02545 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SLC40A1 Q9NP59 1/20 0.42
RELA Q04206 1/20 0.42
AKR1C3 P42330 2/20 0.41
AKR1C2 P52895 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL5369496 0.93 MEN1 (0.50) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5364445 0.90 MEN1 (0.48) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5362108 0.88 KMT2A (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5378271 0.87 MAPT (0.47) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5366036 0.84 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5366028 0.84 MAPT (0.54) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5724310 0.81 MAPT (0.50) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL5724315 0.81 MAPT (0.52) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6506834 0.78 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL6506827 0.78 MAPT (0.48) MEN1KMT2AMAPTSMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7294716-B2 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALLERGAN, INC. (US) 2007-11-13 US disclosed
EP-1556371-B1 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR WINSTON PHARMACEUTICALS LLC (US) 2006-04-19 EP disclosed
EP-1644352-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS Allergan, Inc. (US) 2006-04-12 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
WO-2005016917-A1 PROCESS FOR PREPARING ISOMERICALLY PURE PRODRUGS OF PROTON PUMP INHIBITORS ALLERGAN, INC. (US) 2005-02-24 WO disclosed
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors ALEVIUM PHARMACEUTICALS, INC. 2005-02-17 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 (4 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 MEN1 1514/4885KMT2A 2483/4885MAPT 4100/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MEN1 2438/4885KMT2A 1672/4885MAPT 4649/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MEN1 1242/4885KMT2A 2592/4885MAPT 4128/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MEN1 1915/4885KMT2A 2545/4885MAPT 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.