SCHEMBL5370451

SCHEMBL5370451

COC(=O)C(C)(C)COc1ccc(S(=O)(=O)n2c(S)nc3cc(OC)ccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 1/20 0.39
NOD1 Q9Y239 1/20 0.39
DYRK1A Q13627 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 2/20 0.37
HTT P42858 2/20 0.37
LMNA P02545 1/20 0.37
PPARG P37231 3/20 0.37
PPARA Q07869 3/20 0.37
PPARD Q03181 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR6 P50406 2/20 0.36
PTGDR2 Q9Y5Y4 2/20 0.36
PTGDR Q13258 1/20 0.36

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
SCHEMBL14387883 0.84 MAPK1 (0.48) CXCL8NOD1ALDH1A1HDAC1HDAC6
SCHEMBL5359147 0.82 CXCL8 (0.44) CXCL8NOD1ALDH1A1HDAC1HDAC6
SCHEMBL14356267 0.80 ALDH1A1 (0.45) DYRK1AALDH1A1SMN1; SMN2HTTPPARG
SCHEMBL5446485 0.79 BRS3 (0.44) DYRK1AALDH1A1HDAC1HDAC6SMN1; SMN2
SCHEMBL5378083 0.78 RORC (0.35) ALDH1A1TSHRHTTLMNATP53
SCHEMBL14356278 0.77 CXCL8 (0.44) CXCL8NOD1ALDH1A1HDAC1SMN1; SMN2
SCHEMBL5366597 0.76 MAPK1 (0.48) CXCL8NOD1ALDH1A1SMN1; SMN2TSHR
SCHEMBL5370652 0.75 ALDH1A1 (0.43) DYRK1AALDH1A1SMN1; SMN2PKMBRD4
SCHEMBL5370928 0.75 ALDH1A1 (0.41) CXCL8NOD1ALDH1A1SMN1; SMN2HPGD
SCHEMBL5378208 0.74 CXCL8 (0.44) CXCL8NOD1ALDH1A1SMN1; SMN2PKM

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 10 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
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
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
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 CXCL8 4241/4885NOD1 3355/4885DYRK1A 3760/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 CXCL8 4535/4885NOD1 2294/4885DYRK1A 2271/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI CXCL8 4226/4885NOD1 3518/4885DYRK1A 3514/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI CXCL8 4251/4885NOD1 3805/4885DYRK1A 3544/4885

“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.