Sugi Predict

Sugi Predict / Compounds / SCHEMBL664115

SCHEMBL664115

SCHEMBL664115

Cc1ccc(S(=O)(=O)S([O])(=O)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.59
▸ CA1 P00915 4/20 0.54
▸ CA2 P00918 4/20 0.54
▸ CA12 O43570 2/20 0.54
▸ CA9 Q16790 2/20 0.54
▸ CA3 P07451 1/20 0.54
▸ CA6 P23280 1/20 0.54
▸ CA5A P35218 1/20 0.54
▸ CA7 P43166 1/20 0.54
▸ CA5B Q9Y2D0 1/20 0.54
▸ TLR9 Q9NR96 1/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 4/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CYP2C9 P11712 2/20 0.48
▸ CYP2C19 P33261 2/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48

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
SCHEMBL547554 0.86 GAA (0.68) GAACA1CA2CA12CA9
SCHEMBL8038985 0.86 GAA (0.68) GAACA1CA2CA12CA9
SCHEMBL1060443 0.81 GAA (0.62) GAACA1CA2CA12CA9
SCHEMBL28449841 0.81 GAA (0.62) GAACA1CA2CA12CA9
SCHEMBL1332797 0.79 GAA (0.59) GAACA1CA2CA12CA9
SCHEMBL4139519 0.79 GAA (0.59) GAACA1CA2CA12CA9
SCHEMBL927 0.78 GAA (0.65) GAACA1CA2CA12CA9
SCHEMBL11586425 0.77 GAA (0.56) GAACA1CA2CA12CA9
SCHEMBL232564 0.77 GAA (0.56) GAACA1CA2CA12CA9
SCHEMBL6363024 0.77 GAA (0.56) GAACA1CA2CA12CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7265125-B2 Neuropeptide Y antagonists HOFFMANN-LA ROCHE INC. (US) 2007-09-04 — — US claimed
US-20050176698-A1 Neuropeptide Y antagonists BREU VOLKER (DE) 2005-08-11 — — US claimed
EP-1318981-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2003-06-18 — — EP claimed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 — — US claimed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 — — WO claimed
EP-2245038-B1 NEW MACROLIDES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2018-11-07 — — EP disclosed
EP-2760868-B1 FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2018-04-25 — — EP disclosed
US-9150583-B2 Furo[3,4-c]quinoline derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-10-06 — — US disclosed
US-9029544-B2 Tricyclic pyridine derivatives, medicaments containing such compounds, their use and process for their preparation BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-05-12 — — US disclosed
EP-2536733-B1 TRICYCLIC PYRIDINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION BOEHRINGER INGELHEIM INT (DE) 2014-11-26 — — EP disclosed
EP-2566864-B1 PYRIDAZINONES AS GPR119 AGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-09-03 — — EP disclosed
EP-2760868-A1 FURO[3,4-C]QUINOLINE DERIVATIVES, MEDICAMENTS CONTAINING SUCH COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PREPARATION Boehringer Ingelheim International GmbH (DE) 2014-08-06 — — EP disclosed
EP-1230224-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-14 — — EP disclosed
US-20020052356-A1 Neuropeptide Y antagonists F.HOFFMANN-LA ROCHE AG (CH) 2002-05-02 — — US disclosed
WO-2002020488-A2 QUINOLINE AND QUINAZOLINE DERIVATIVES AS LIGANDS FOR THE NEUROPEPTIDE Y RECEPTOR F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 — — WO disclosed
WO-2001032633-A1 SUBSTITUTED 5-BENZYL-2,4-DIAMINOPYRIMIDINES BASILEA PHARMACEUTICA AG (CH) 2001-05-10 — — WO disclosed
WO-2000063173-A1 PROCESS FOR THE PREPARATION OF SUBSTITUTED PIPERIDINES F. HOFFMANN-LA ROCHE AG (CH) 2000-10-26 — — WO disclosed
US-5763450-A BACTERICIDES; TREATMENT OF INFECTIOUS DISEASES HOFFMANN-LA ROCHE INC. (US) 1998-06-09 — — US disclosed
EP-0793656-A1 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1997-09-10 — — EP disclosed
WO-1996016046-A2 NOVEL BENZYL PYRIMIDINES F. HOFFMANN-LA ROCHE AG (CH) 1996-05-30 — — 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 (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-20050176698-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R GAA 570/4885CA1 4306/4885CA2 3311/4885
US-20020052356-A1 Neuropeptide Y antagonists NPY5R, NPY4R, NPY2R GAA 570/4885CA1 4306/4885CA2 3311/4885

“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.