SCHEMBL5378086

SCHEMBL5378086

COc1ccc2c(c1)=NC(S)(S(=O)(=O)c1c(C)cc(OCC(C)(C)C(=O)OCCS(=O)(=O)c3ccc(C)cc3)cc1C)N=2

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.35
PAX8 Q06710 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 3/20 0.32
MMP1 P03956 1/20 0.32
MMP13 P45452 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
LMNA P02545 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
SCHEMBL5370445 0.77 DYRK1A (0.37) ALDH1A1POLBKMT2AMMP1MMP13
SCHEMBL5378083 0.77 RORC (0.35) ALDH1A1PAX8POLBKMT2ACYP1A2
SCHEMBL5362290 0.77 FFAR4 (0.38) ALDH1A1POLBKMT2ACYP1A2CYP3A4
SCHEMBL5358306 0.76 PAX8 (0.42) ALDH1A1PAX8POLBKMT2ACYP1A2
SCHEMBL5359776 0.76 ALDH1A1 (0.40) ALDH1A1PAX8POLBKMT2ACYP1A2
SCHEMBL5378271 0.75 MAPT (0.47) ALDH1A1POLBKMT2ACYP1A2CYP3A4
SCHEMBL5377787 0.74 POLB (0.45) ALDH1A1POLBGAAHTTLMNA
SCHEMBL5378090 0.72 PAX8 (0.36) ALDH1A1PAX8POLB
SCHEMBL5362294 0.71 FFAR4 (0.39) ALDH1A1POLBKMT2AMAPTMEN1
SCHEMBL5368303 0.69 CYP2C9 (0.36) ALDH1A1KMT2ACYP1A2CYP3A4MAPT

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 ALDH1A1 397/4885PAX8 3472/4885POLB 3596/4885
US-20050038076-A1 Process for preparing isomerically pure prodrugs of proton pump inhibitors SI, ATP6AP1, HRH2 ALDH1A1 1650/4885PAX8 3316/4885POLB 1255/4885
US-20050143423-A1 Prodrugs of proton pump inhibitors background of the invention ABCB11, SLC10A2, SI ALDH1A1 405/4885PAX8 3950/4885POLB 3578/4885
US-20050182101-A1 Prodrugs of proton pump inhibitors ABCB11, SLC10A2, SI ALDH1A1 494/4885PAX8 3575/4885POLB 3580/4885

“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.