Sugi Predict

Sugi Predict / Compounds / SCHEMBL6482116

SCHEMBL6482116

SCHEMBL6482116

Nc1ccc(C(F)(F)F)cc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATP4A P20648 6/20 0.44
▸ ATP4B P51164 6/20 0.44
▸ NPSR1 Q6W5P4 2/20 0.39
▸ NPBWR1 P48145 1/20 0.38
▸ DGAT1 O75907 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MTOR P42345 1/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ KHK P50053 1/20 0.36
▸ CBFB Q13951 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
SCHEMBL9278762 0.87 ATP4A (0.47) ATP4AATP4BNPSR1NPBWR1DGAT1
SCHEMBL6474768 0.85 ATP4A (0.55) ATP4AATP4BNPSR1MEN1KMT2A
SCHEMBL6475609 0.83 ATP4A (0.50) ATP4AATP4BNPSR1MEN1KMT2A
SCHEMBL6474729 0.82 ATP4A (0.55) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL6475069 0.82 ATP4A (0.46) ATP4AATP4BMEN1KMT2ANPC1
Water SCHEMBL8401629 0.81 ATP4A (0.49) ATP4AATP4BNPSR1MEN1KMT2A
Water SCHEMBL8401632 0.81 ATP4A (0.49) ATP4AATP4BNPSR1MEN1KMT2A
SCHEMBL6475513 0.81 ATP4A (0.56) ATP4AATP4BNPSR1MEN1KMT2A
SCHEMBL6475028 0.80 ATP4A (0.57) ATP4AATP4BMEN1KMT2ANPC1
SCHEMBL6475301 0.77 ATP4A (0.59) ATP4AATP4BNPC1MAPTPKM

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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — 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
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 — — EP 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
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 — — 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 (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 ATP4A 1/4885ATP4B 8/4885NPSR1 2133/4885

“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.