SCHEMBL1008550

SCHEMBL1008550

CSc1ccc(-n2nc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)nc-3cc2-c2ccc(SCCNS(C)(=O)=O)cc2Cl)cc1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 5/20 0.33
PTGS1 P23219 2/20 0.33
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30
MALT1 Q9UDY8 1/20 0.30

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
SCHEMBL1009612 0.96 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL1010504 0.89 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL1010447 0.89 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL1009110 0.89 PTGS2 (0.34) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL1008650 0.89 PPARG (0.33) PTGS2PTGS1PPARGPPARDPPARA
Hydrochloric Acid SCHEMBL1472516 0.88 PTGS2 (0.33) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL1010485 0.88 CNR1 (0.34) PTGS2PTGS1ALDH1A1PPARGPPARD
SCHEMBL1009450 0.88 PTGS2 (0.39) PTGS2PTGS1MALT1
SCHEMBL1008714 0.88 PTGS2 (0.35) PTGS2PTGS1PPARGPPARDPPARA
SCHEMBL1009181 0.87 GRM2 (0.34) PTGS2PTGS1PPARGPPARDPPARA

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 8 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
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

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 PTGS2 560/4885PTGS1 688/4885ALDH1A1 249/4885

“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.