SCHEMBL5378279

SCHEMBL5378279

COc1ccc(NS(=O)(=O)c2c(C)cc(OCC(=O)O)cc2C)c(N)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.54
POLB P06746 1/20 0.54
GAA P10253 1/20 0.54
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.43
MCL1 Q07820 1/20 0.42
HPGD P15428 2/20 0.41
PTPRB P23467 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MGAT2 Q10469 1/20 0.40
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39

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
SCHEMBL14356231 0.91 MAPK1 (0.54) TSHRPOLBGAALMNAALDH1A1
SCHEMBL5724386 0.83 ALDH1A1 (0.44) TSHRLMNAALDH1A1HPGDKMT2A
SCHEMBL5366028 0.83 MAPT (0.54) TSHRPOLBGAALMNAALDH1A1
SCHEMBL5366036 0.83 MAPT (0.54) TSHRPOLBGAALMNAALDH1A1
SCHEMBL5724390 0.83 ALDH1A1 (0.46) TSHRPOLBLMNAALDH1A1HPGD
SCHEMBL5724955 0.82 CYTH2 (0.53) TSHRPOLBGAALMNAALDH1A1
SCHEMBL6511241 0.81 TDP1 (0.47) TSHRGAALMNAALDH1A1HPGD
SCHEMBL5370473 0.81 ALDH1A1 (0.43) TSHRGAAALDH1A1MAPK1HPGD
SCHEMBL14356224 0.78 MAPK1 (0.56) TSHRPOLBGAALMNAALDH1A1
SCHEMBL5368085 0.76 MAPK1 (0.60) TSHRPOLBLMNAALDH1A1MAPK1

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 TSHR 2184/4885POLB 3596/4885GAA 83/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 TSHR 2081/4885POLB 1255/4885GAA 134/4885

“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.