Sugi Predict

Sugi Predict / Compounds / SCHEMBL3968070

SCHEMBL3968070

SCHEMBL3968070

CC(C)c1ccc(C(=O)O)cc1S(C)(=O)=O

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC9A1 P19634 3/20 0.64
▸ SLC9A2 Q9UBY0 1/20 0.64
▸ ACE2 Q9BYF1 4/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.47
▸ CDC25B P30305 1/20 0.46
▸ KMT2A Q03164 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ PKM P14618 1/20 0.44
▸ GRM1 Q13255 2/20 0.42
▸ TTR P02766 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41

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
SCHEMBL15641748 0.86 ACE2 (0.51) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL18929891 0.85 SLC9A1 (0.71) SLC9A1SLC9A2SMN1; SMN2CNR2
SCHEMBL3976379 0.85 SLC9A1 (0.62) SLC9A1SLC9A2ACE2NPSR1CNR2
SCHEMBL31587739 0.85 ACE2 (0.50) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL2421238 0.85 PKM (0.58) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL3971731 0.85 ACE2 (0.50) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL29070079 0.85 SLC9A1 (0.48) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL6860360 0.83 SLC9A1 (0.47) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL7659788 0.81 ACE2 (0.47) SLC9A1SLC9A2ACE2NPSR1CDC25B
SCHEMBL5405584 0.80 CDC25B (0.53) NPSR1CDC25BKMT2ASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11302248-A — — None — — JP disclosed
JP-11302249-A — — None — — JP disclosed
JP-8208594-A — — None — — JP disclosed
EP-0921117-B2 Acylguanidines SANOFI AVENTIS DEUTSCHLAND (DE) 2009-01-07 — — EP disclosed
WO-2005079803-A1 COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISEASES PFIZER PRODUCTS, INC. (US) 2005-09-01 — — WO disclosed
US-6841560-B2 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. (GB) 2005-01-11 — — US disclosed
US-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants SMITHKLINE BEECHAM P.L.C. 2004-10-21 — — US disclosed
US-6762192-B2 USEFUL IN THERAPY AND PROPHYLAXIS OF EPILEPSY, MIGRAINE, AND OTHER DISORDERS SMITHKLINE BEECHUM P.L.C. (GB) 2004-07-13 — — US disclosed
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them HOECHST AKTIENGESELLSCHAFT 2004-03-04 — — US disclosed
EP-0921117-B1 Acylguanidines AVENTIS PHARMA GMBH (DE) 2003-12-10 — — EP disclosed
EP-0921117-A2 Acylguanidines HOECHST AKTIENGESELLSCHAFT (DE) 1999-06-09 — — EP disclosed
US-5753710-A INHIBITORS OF THE CELLULAR SODIUM PROTON ANTIPORTER HOECHST AKTIENGESELLSCHAFT (DE) 1998-05-19 — — US disclosed
CN-1145360-A Substituted benzyloxy carbonyl guanidine, its prepn. method, and application of the same as medicament and medicament containing the same HOECHST AG (DE) 1997-03-19 — — CN disclosed
EP-0589336-B1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AG (DE) 1997-01-08 — — EP disclosed
US-5591754-A Benzoylguanidines, pharmaceutical composition containing them and treatment of arrthythmias therewith HOECHST AKTIENGESELLSCHAFT (DE) 1997-01-07 — — US disclosed
EP-0748795-A2 Substituted benzyloxycarbonyl guanidines as Na+/H+ exchange inhibitors, process for their preparation, their use as medicinal or diagnostic agents as well as medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1996-12-18 — — EP disclosed
JP-H08208594-A PRODUCTION OF METHYLSULFONYL AROMATIC COMPOUND BY METHYLATING ARYLSULFINIC ACID WITH METHYL CHLORIDE HOECHST AG 1996-08-13 — — JP disclosed
EP-0717033-A2 Process for the preparation of methylsulfonyl aromatic compounds through methylation of aryl sulfinic acids using methyl chloride HOECHST AKTIENGESELLSCHAFT (DE) 1996-06-19 — — EP disclosed
EP-0640587-A1 Diacyl substituted guanidins, process for their preparation, their use as medicament or diagnostic reagent and medicament containing them HOECHST AKTIENGESELLSCHAFT (DE) 1995-03-01 — — EP disclosed
EP-0589336-A1 Benzoylguanidines, process for their preparation and their use as antiarrhythmic agents HOECHST AKTIENGESELLSCHAFT (DE) 1994-03-30 — — EP 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 (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-20040209912-A1 Substituted isoquinoline derivatives and their use as anticonvulsants INA, GRIN2C, GRIN2A SLC9A1 1792/4885SLC9A2 1154/4885ACE2 1430/4885
US-20040044081-A1 Diacyl-substituted guanidines, a process for their preparation, their use as medicament or diagnostic aid, and medicament containing them ADRA1B, ADRA1A, HYOU1 SLC9A1 37/4885SLC9A2 112/4885ACE2 2091/4885

“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.