SCHEMBL5378083

SCHEMBL5378083

COc1ccc2c(c1)nc(S)n2S(=O)(=O)c1c(C)cc(OCC(C)(C)C(=O)OCCS(=O)(=O)c2ccc(C)cc2)cc1C

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.35
ALDH1A1 P00352 8/20 0.33
HTT P42858 2/20 0.33
CNR2 P34972 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP2C19 P33261 2/20 0.32
CYP1A2 P05177 1/20 0.32
GAA P10253 2/20 0.32
HTR6 P50406 1/20 0.31
PAX8 Q06710 1/20 0.31
ALOX12 P18054 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 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
SCHEMBL5368303 0.83 CYP2C9 (0.36) RORCALDH1A1HTTMAPTCYP3A4
SCHEMBL5370451 0.78 CXCL8 (0.39) ALDH1A1HTTLMNATSHRTP53
SCHEMBL5359772 0.77 ALDH1A1 (0.37) RORCALDH1A1HTTTSHRMAPT
SCHEMBL5764788 0.77 PAX8 (0.40) RORCALDH1A1MAPTTP53CYP3A4
SCHEMBL5378086 0.77 ALDH1A1 (0.35) ALDH1A1HTTLMNAMAPTCYP3A4
SCHEMBL5358313 0.77 PAX8 (0.40) RORCALDH1A1TSHRMAPTCYP3A4
SCHEMBL5370611 0.77 ALDH1A1 (0.43) RORCALDH1A1LMNAMAPTGAA
SCHEMBL5377800 0.76 TSHR (0.42) ALDH1A1HTTLMNATSHRGAA
SCHEMBL14356225 0.75 MAPK1 (0.39) ALDH1A1HTTLMNATSHRMAPT
SCHEMBL5362290 0.74 FFAR4 (0.38) ALDH1A1LMNAMAPTCYP3A4CYP2C9

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 9 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
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 RORC 2371/4885ALDH1A1 397/4885HTT 2162/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 RORC 1589/4885ALDH1A1 1650/4885HTT 2706/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI RORC 2193/4885ALDH1A1 405/4885HTT 1653/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI RORC 2216/4885ALDH1A1 494/4885HTT 2252/4885

“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.