SCHEMBL5378271

SCHEMBL5378271

COc1ccc(NS(=O)(=O)c2c(C)cc(OCC(C)(C)C(=O)OCCS(=O)(=O)c3ccc(C)cc3)cc2C)c([N+](=O)[O-])c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
TDP1 Q9NUW8 2/20 0.47
LMNA P02545 2/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
MAPK1 P28482 1/20 0.43
CYP3A4 P08684 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
POLB P06746 2/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 1/20 0.37
CASP6 P55212 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37

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
SCHEMBL5362290 0.88 FFAR4 (0.38) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5364442 0.87 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5369496 0.83 MEN1 (0.50) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5362294 0.81 FFAR4 (0.39) MAPTMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL5364445 0.80 MEN1 (0.48) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5362108 0.78 KMT2A (0.54) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5378016 0.76 MAPT (0.51) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5366557 0.76 MAPT (0.49) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5366036 0.76 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2TDP1
SCHEMBL5366028 0.76 MAPT (0.54) MAPTMEN1KMT2ASMN1; SMN2TDP1

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 11 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
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
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
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 (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 MAPT 4100/4885MEN1 1514/4885KMT2A 2483/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPT 4649/4885MEN1 2438/4885KMT2A 1672/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI MAPT 4128/4885MEN1 1242/4885KMT2A 2592/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI MAPT 4098/4885MEN1 1915/4885KMT2A 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.