SCHEMBL6483304

SCHEMBL6483304

Nc1cccc(C[S+]([O-])c2nc3cc(CO)ccc3[nH]2)n1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.36
F7 P08709 2/20 0.32
CBFB Q13951 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30

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
Water SCHEMBL6475545 0.99 BACE1 (0.36) BACE1F7CBFBHSD17B10
SCHEMBL6475508 0.84 NOS2 (0.35) BACE1HSD17B10NOS3NOS1
SCHEMBL6476737 0.84 BACE1 (0.35) BACE1
SCHEMBL6474955 0.82 ALDH1A1 (0.41) HSD17B10
SCHEMBL6474848 0.81 BACE1 (0.41) BACE1NOS3NOS1
SCHEMBL6482757 0.81 BACE1 (0.36) BACE1CBFB
SCHEMBL6476047 0.80 FABP6 (0.42) BACE1CBFBNOS1
SCHEMBL6481716 0.79 CYP3A4 (0.39) CBFBHSD17B10
SCHEMBL6475517 0.77 PDE10A (0.39) BACE1NOS3NOS1
Water SCHEMBL6475151 0.76 PDE10A (0.39) BACE1NOS3NOS1

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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
US-4772619-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1988-09-20 US claimed
US-6906078-B2 Method of using (H+/K+) ATPase inhibitors as antiviral agents PHARMACIA CORPORATION (US) 2005-06-14 US disclosed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US disclosed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO disclosed
WO-1995021841-A1 1-β-METHYL-CARBAPENEM, COMPOSITIONS CONTAINING SAME AND METHODS OF USE MERCK & CO., INC. (US) 1995-08-17 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 (1 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-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents ATP4A, ATP1A1, ATP1A4 BACE1 4621/4885F7 900/4885CBFB 2862/4885

“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.