SCHEMBL5366028

SCHEMBL5366028

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

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
MEN1 O00255 4/20 0.54
KMT2A Q03164 4/20 0.54
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK1 P28482 2/20 0.47
ALDH1A1 P00352 3/20 0.47
AKR1C3 P42330 2/20 0.47
AKR1C2 P52895 2/20 0.47

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
SCHEMBL5366036 1.00 MAPT (0.54) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5369496 0.86 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5724310 0.84 MAPT (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5364442 0.84 MEN1 (0.50) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5724315 0.84 MAPT (0.52) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5378279 0.83 TSHR (0.54) MAPTSMN1; SMN2MEN1KMT2APOLB
SCHEMBL6506834 0.83 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL6506827 0.83 MAPT (0.48) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5359783 0.82 MAPT (0.49) MAPTSMN1; SMN2MEN1KMT2ANPC1
SCHEMBL5368110 0.78 MAPT (0.57) MAPTSMN1; SMN2MEN1KMT2ANPC1

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
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-1556371-A2 BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PRODRUGS OF PROTON PUMP INHIBITOR Winston Pharmaceuticals LLC (US) 2005-07-27 EP disclosed
US-6897227-B2 Prodrugs of proton pump inhibitors Winston Pharmaceuticals, Inc. (US) 2005-05-24 US 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 (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 MAPT 4100/4885SMN1; SMN2 2083/4885MEN1 1514/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 MAPT 4649/4885SMN1; SMN2 2675/4885MEN1 2438/4885

“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.