SCHEMBL5362269

SCHEMBL5362269

COc1ccc2c(c1)nc([S+]([O-])Cc1ncc(C)c(OC)c1C)n2S(=O)(=O)c1cc(C(=O)OCCS(=O)(=O)c2ccc(C)cc2)ccc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.35
ALDH1A1 P00352 4/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PAX8 Q06710 1/20 0.33
MAPT P10636 3/20 0.33
NPC1 O15118 1/20 0.33
NLRP3 Q96P20 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
PLA2G4A P47712 1/20 0.31
HSD17B10 Q99714 2/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
POLB P06746 1/20 0.31
WDR5 P61964 2/20 0.31

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
SCHEMBL5761974 0.95 CYP2C9 (0.36) CYP2C9ALDH1A1SMN1; SMN2GAAPAX8
SCHEMBL5762114 0.91 CYP2C9 (0.37) CYP2C9ALDH1A1SMN1; SMN2GAATSHR
SCHEMBL5760955 0.90 CYP2C9 (0.36) CYP2C9ALDH1A1SMN1; SMN2GAANPSR1
SCHEMBL5761706 0.90 CYP2C9 (0.37) CYP2C9ALDH1A1SMN1; SMN2PAX8MAPT
SCHEMBL6510432 0.88 CYP2C9 (0.35) CYP2C9ALDH1A1SMN1; SMN2NPSR1MAPT
SCHEMBL14356240 0.87 HSD17B10 (0.42) CYP2C9ALDH1A1SMN1; SMN2USP2GAA
SCHEMBL5369643 0.87 BRS3 (0.38) CYP2C9ALDH1A1SMN1; SMN2USP2GAA
SCHEMBL5364400 0.87 HSD17B10 (0.42) CYP2C9ALDH1A1SMN1; SMN2USP2GAA
SCHEMBL14356238 0.86 SMN1; SMN2 (0.41) CYP2C9ALDH1A1SMN1; SMN2USP2GAA
SCHEMBL5762088 0.86 CYP2C9 (0.36) CYP2C9ALDH1A1SMN1; SMN2GAAMAPT

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
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-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 CYP2C9 92/4885ALDH1A1 397/4885SMN1; SMN2 2083/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CYP2C9 59/4885ALDH1A1 1650/4885SMN1; SMN2 2675/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CYP2C9 49/4885ALDH1A1 405/4885SMN1; SMN2 2578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CYP2C9 83/4885ALDH1A1 494/4885SMN1; SMN2 2370/4885

“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.