SCHEMBL3689535

SCHEMBL3689535

CN(C)c1ccccc1C[S+]([O-])c1nc2ccccc2[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 1/20 0.52
ATP4B P51164 1/20 0.52
DDAH1 O94760 1/20 0.38
POLB P06746 1/20 0.38
SLC40A1 Q9NP59 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
BCHE P06276 2/20 0.37
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.36
HPGD P15428 1/20 0.36
MCL1 Q07820 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL30637598 1.00 ATP4A (0.52) ATP4AATP4BDDAH1POLBSLC40A1
SCHEMBL10726467 0.99 ATP4A (0.51) ATP4AATP4BDDAH1POLBSLC40A1
SCHEMBL9398029 0.87 LMNA (0.48) ATP4AATP4BDDAH1POLBLMNA
SCHEMBL9396516 0.87 ATP4A (0.40) ATP4AATP4BLMNACYP1A2CYP2D6
SCHEMBL9396523 0.87 ATP4A (0.40) ATP4AATP4BPOLBLMNACYP1A2
SCHEMBL9398067 0.87 ATP4A (0.42) ATP4AATP4BDDAH1POLBLMNA
SCHEMBL9677027 0.86 KDM4E (0.39) ATP4AATP4BPOLBLMNACYP1A2
SCHEMBL9675855 0.86 ATP4A (0.41) ATP4AATP4BPOLBLMNAALDH1A1
Leminoprazole SCHEMBL29895760 0.86 ATP4A (0.39) ATP4AATP4BDDAH1POLBLMNA
SCHEMBL9395758 0.86 ATP4A (0.39) ATP4AATP4BBCHEALDH1A1HPGD

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 109 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1617842-A1 ORAL PHARMACEUTICAL FORMULATIONS COMPRISING ACID-LABILE ACTIVE INGREDIENTS AND A WATER-SOLUBLE SUGAR DERIVATE, USE THEREOF AND THE SUITABLE PROCESS FOR MANUFACTURING THESE Dr. Reddy's Laboratories Ltd. (IN) 2006-01-25 EP claimed
US-20050031696-A1 Oral pharmaceutical formulations of acid-labile active ingredients and process for making same DR. REDDY'S LABORATORIES LIMITED 2005-02-10 US claimed
WO-2004093875-A1 ORAL PHARMACEUTICAL FORMULATIONS COMPRISING ACID-LABILE ACTIVE INGREDIENTS AND A WATER-SOLUBLE SUGAR DERIVATE, USE THEREOF AND THE SUITABLE PROCESS FOR MANUFACTURING THESE DR. REDDY'S LABORATORIES LIMITED (IN) 2004-11-04 WO claimed
US-20010047038-A1 Method of using (H+/K+) ATPase inhibitors as antiviral agents MOORMAN ALAN E (US) 2001-11-29 US claimed
EP-0565210-B1 Vehicles for oral adminstration of pharmaceutically active acide labile substances ASTRA AB (SE) 1999-11-17 EP claimed
US-5945425-A ADENOSINE TRIPHOSPHASE INHIBITOR; DNA VIRICIDE G.D. SEARLE & CO. (US) 1999-08-31 US claimed
US-5869513-A ANTIULCER AGENTS G. D. SEARLE & CO. (US) 1999-02-09 US claimed
EP-0502556-B1 Use of specific core material and layers to obtain pharmaceutical formulations stable to discolouration of acid labile compounds HAESSLE AB (SE) 1996-06-26 EP claimed
WO-1995029897-A1 METHOD OF USING (H+/K+) ATPase INHIBITORS AS ANTIVIRAL AGENTS G.D. SEARLE & CO. (US) 1995-11-09 WO claimed
CN-1025151-C Pharmaceutical formulations of acid labile substances for oral use HAESSLE AB (SE) 1994-06-29 CN claimed
EP-0244380-B1 PHARMACEUTICAL FORMULATIONS OF ACID LABILE SUBSTANCES FOR ORAL USE Aktiebolaget Hässle (SE) 1993-01-07 EP claimed
EP-0502556-A1 Use of specific core material and layers to obtain pharmaceutical formulations stable to discolouration of acid labile compounds Aktiebolaget Hässle (SE) 1992-09-09 EP claimed
EP-0174717-B1 BENZIMIDAZOLES, AND THEIR PRODUCTION FORMULATION AND USE AS GASTRIC ACID SECRETION INHIBITORS FISONS plc (GB) 1992-01-22 EP claimed
US-4853230-A SUBCOATED; ENTERIC COATING; AKTIEBOLAGET HASSLE (SE) 1989-08-01 US claimed
CN-87103285-A Pharmaceutical formulations of acid labile substances for oral administration 1987-11-18 CN claimed
EP-0244380-A2 Pharmaceutical formulations of acid labile substances for oral use Aktiebolaget Hässle (SE) 1987-11-04 EP claimed
EP-0232399-A1 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1987-08-19 EP claimed
WO-1987001114-A2 NEW AMINES, PROCESS FOR THEIR MANUFACTURE, THEIR USE AND MEDICINES CONTAINING THEM BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1987-02-26 WO claimed
EP-0204215-A1 2-[(1H-benzimidazol-2-ylsulfinyl)methyl]-benzenamines G.D. Searle & Co. (US) 1986-12-10 EP claimed
EP-0174717-A1 Benzimidazoles, and their production formulation and use as gastric acid secretion inhibitors FISONS plc (GB) 1986-03-19 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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 8/4885DDAH1 21/4885
US-20050031696-A1 Oral pharmaceutical formulations of acid-labile active ingredients and process for making same SI, GAA, PGA5 ATP4A 2061/4885ATP4B 3332/4885DDAH1 2610/4885

“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.