SCHEMBL6474993

SCHEMBL6474993

CCOC(=O)OCn1c([S+]([O-])Cc2nccc(OC)c2OC)nc2cc(C(=O)OC)c(C)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.38
▸ EPHX2 P34913 1/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MAPT P10636 3/20 0.32
▸ LMNA P02545 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ SLC22A2 O15244 1/20 0.32
▸ DDAH1 O94760 1/20 0.32
▸ ABCB1 P08183 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ATP4A P20648 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ FASN P49327 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ SLC47A2 Q86VL8 1/20 0.32
▸ SLC47A1 Q96FL8 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.32
▸ MTNR1A P48039 2/20 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
SCHEMBL9286732 0.97 CYP2C9 (0.38) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9529094 0.93 CYP2C9 (0.34) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9530345 0.90 CYP2C9 (0.34) CYP2C9KDM4EMAPTLMNAALDH1A1
SCHEMBL9544128 0.89 CYP2C9 (0.41) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9541724 0.88 CYP2C9 (0.41) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9532433 0.88 CYP2C9 (0.32) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9755547 0.87 CYP2C9 (0.41) CYP2C9KDM4EMAPTLMNAALDH1A1
SCHEMBL9231523 0.87 CYP2C9 (0.36) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9232189 0.87 CYP2C9 (0.36) CYP2C9EPHX2KDM4EMAPTLMNA
SCHEMBL9232184 0.87 CYP2C9 (0.36) CYP2C9EPHX2KDM4EMAPTLMNA

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 13 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-1996016959-A1 A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1996-06-06 — — WO claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 — — WO claimed
WO-1991019711-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AKTIEBOLAGET ASTRA (SE) 1991-12-26 — — WO 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
WO-1996016959-A1 A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1996-06-06 — — WO disclosed
WO-1996016959-A1 A PROCESS FOR THE PREPARATION OF BENZIMIDAZOLE DERIVATIVES ASTRA AKTIEBOLAG (SE) 1996-06-06 — — WO 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-1995015962-A1 SUBSTITUTED BENZIMIDAZOLE, PROCESSES FOR ITS PREPARATION AND ITS PHARMACEUTICAL USE ASTRA AKTIEBOLAG (SE) 1995-06-15 — — WO disclosed
WO-1991019711-A1 SUBSTITUTED BENZIMIDAZOLES, PROCESS FOR THEIR PREPARATION AND THEIR PHARMACEUTICAL USE AKTIEBOLAGET ASTRA (SE) 1991-12-26 — — 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 CYP2C9 1120/4885EPHX2 2387/4885KDM4E 1518/4885

“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.

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