SCHEMBL1008446

SCHEMBL1008446

CCCS(=O)(=O)Oc1cc[c]cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.48
MMP9 P14780 4/20 0.48
MMP14 P50281 4/20 0.48
MMP7 P09237 2/20 0.48
CA2 P00918 4/20 0.46
CA12 O43570 3/20 0.46
ENPP3 O14638 1/20 0.43
ENPP1 P22413 1/20 0.43
ENPP2 Q13822 1/20 0.43
KMT2A Q03164 1/20 0.36
STS P08842 4/20 0.33
ALPL P05186 3/20 0.33
ALPI P09923 3/20 0.33
JAK1 P23458 1/20 0.33

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
SCHEMBL9686680 0.89 ALPL (0.42) MMP2MMP9MMP14MMP7CA2
SCHEMBL7297750 0.87 ALPL (0.43) MMP2MMP9MMP14MMP7CA2
SCHEMBL23449 0.86 MMP2 (0.44) MMP2MMP9MMP14MMP7CA2
SCHEMBL249114 0.80 KMT2A (0.57) MMP2MMP9MMP14MMP7CA2
SCHEMBL27865574 0.78 KMT2A (0.55) MMP2MMP9MMP14MMP7CA2
SCHEMBL27333112 0.78 KMT2A (0.55) MMP2MMP9MMP14MMP7CA2
SCHEMBL7541023 0.78 CA2 (0.53) MMP2MMP9MMP14MMP7CA2
SCHEMBL11599122 0.77 MMP2 (0.51) MMP2MMP9MMP14MMP7CA2
SCHEMBL27611233 0.77 NQO1 (0.54) MMP2MMP9MMP14MMP7CA2
SCHEMBL27611634 0.77 CA2 (0.52) MMP2MMP9MMP14MMP7CA2

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US claimed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP claimed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US claimed
EP-2094706-A2 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2009-09-02 EP claimed
WO-2008068424-A2 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-06-12 WO claimed
US-7915258-B2 Substituted 2,5-dihydro-3H-pyrazolo[4,3-C]pyridazin-3-one derivatives, preparation thereof and therapeutic use of the same SANOFI-AVENTIS (FR) 2011-03-29 US disclosed
EP-2094706-B1 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2011-01-05 EP disclosed
US-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME SANOFI-AVENTIS (FR) 2009-11-12 US disclosed
EP-2094706-A2 SUBSTITUTED 2,5-DFFLYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2009-09-02 EP disclosed
WO-2008068424-A2 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND USE OF SAME AS CANNABINOID CB1 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2008-06-12 WO disclosed
US-5135932-A 2-HYDROXYPROPYLAMINO-ALKYL-BENZIMIDAZOLY-5-YL DERIVATIVES AND THEIR USE IN THE TREATMENT OF HEART DISEASE DR. KARL THOMAE GMBH (DE) 1992-08-04 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-20090281107-A1 SUBSTITUTED 2,5-DIHYDRO-3H-PYRAZOLO[4,3-C]PYRIDAZIN-3-ONE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE OF THE SAME DHFR, DPYD, QDPR MMP2 2408/4885MMP9 4495/4885MMP14 4752/4885

“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.