SCHEMBL13645222

SCHEMBL13645222

COc1ccc2[nH]c(S(C)(C)Cc3ncc(C)c(OC)c3C)nc2c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.67
BRS3 P32247 2/20 0.53
ATP4A P20648 6/20 0.51
ATP4B P51164 6/20 0.51
KMT2A Q03164 5/20 0.51
ATP1A1 P05023 5/20 0.51
ATP1B1 P05026 5/20 0.51
ATP1A3 P13637 5/20 0.51
ATP1B2 P14415 5/20 0.51
ATP1A2 P50993 5/20 0.51
ATP1B3 P54709 5/20 0.51
FXYD2 P54710 5/20 0.51
ATP1A4 Q13733 5/20 0.51
WDR5 P61964 3/20 0.51
DDAH1 O94760 2/20 0.51
ENGASE Q8NFI3 2/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP1A2 P05177 2/20 0.51
MAPT P10636 2/20 0.51
CYP2C19 P33261 2/20 0.51

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
Omeprazole Sulfone SCHEMBL33721996 0.88 CYP2C9 (0.85) CYP2C9BRS3ATP4AATP4BKMT2A
Omeprazole Sulfone SCHEMBL29415504 0.88 CYP2C9 (0.85) CYP2C9BRS3ATP4AATP4BKMT2A
Omeprazole Sulfone SCHEMBL2340649 0.88 CYP2C9 (0.85) CYP2C9BRS3ATP4AATP4BKMT2A
Omeprazole Sulfone SCHEMBL28015857 0.88 CYP2C9 (0.83) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL1477733 0.87 CYP2C9 (0.69) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL27835690 0.82 CYP2C9 (0.63) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL1907465 0.82 CYP2C9 (0.62) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL4564707 0.81 CYP2C9 (0.61) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL8787822 0.81 CYP2C9 (0.61) CYP2C9BRS3ATP4AATP4BKMT2A
SCHEMBL4564490 0.81 CYP2C9 (0.61) CYP2C9BRS3ATP4AATP4BKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598273-B2 Inhibitors of the gastric H+, K+-ATPase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC (US) 2009-10-06 US disclosed
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-27 US disclosed
US-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES AUSPEX PHARMACEUTICALS, INC. (US) 2009-08-20 US disclosed
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties AUSPEX PHARMACEUTICALS, INC. 2007-04-12 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 (3 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-20090209592-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 CYP2C9 2123/4885BRS3 2346/4885ATP4A 1/4885
US-20070082929-A1 Inhibitors of the gastric H+, K+-atpase with enhanced therapeutic properties ATP4A, ATP6V1G1, ATP6V1E1 CYP2C9 2123/4885BRS3 2346/4885ATP4A 1/4885
US-20090215831-A1 INHIBITORS OF THE GASTRIC H+, K+-ATPASE WITH ENHANCED THERAPEUTIC PROPERTIES ATP4A, ATP6V1G1, ATP6V1E1 CYP2C9 2123/4885BRS3 2346/4885ATP4A 1/4885

“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.