SCHEMBL1009450

SCHEMBL1009450

CS(=O)(=O)NCCCSc1ccc(-n2nc3c(=O)n(Cc4ccc(C(F)(F)F)cc4)nc-3cc2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.39
PTGS1 P23219 1/20 0.39
CNR1 P21554 1/20 0.34
CNR2 P34972 1/20 0.34
MALT1 Q9UDY8 2/20 0.33
LMNA P02545 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
POLB P06746 1/20 0.31
PTGER4 P35408 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
GSK3B P49841 1/20 0.30
ALOX5 P09917 1/20 0.30
GRM2 Q14416 1/20 0.30
MDM2 Q00987 1/20 0.30
MARS1 P56192 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
SCHEMBL1009468 0.93 PTGS2 (0.37) PTGS2PTGS1MALT1
SCHEMBL1009612 0.92 PTGS2 (0.32) PTGS2PTGS1POLBGRM2
SCHEMBL1008550 0.88 PTGS2 (0.33) PTGS2PTGS1MALT1
SCHEMBL1008459 0.84 PTGS1 (0.42) PTGS2PTGS1CNR1CNR2LMNA
SCHEMBL1010502 0.83 PTGS1 (0.46) PTGS2PTGS1CNR1CNR2LMNA
SCHEMBL1009181 0.81 GRM2 (0.34) PTGS2PTGS1CNR1CNR2LMNA
SCHEMBL1009477 0.81 PTGS2 (0.32) PTGS2PTGS1PTGDR2GRM2
SCHEMBL1011833 0.80 PTGS2 (0.43) PTGS2PTGS1CNR1CNR2PTGER4
SCHEMBL1008714 0.80 PTGS2 (0.35) PTGS2PTGS1CNR1CNR2LMNA
SCHEMBL1009110 0.80 PTGS2 (0.34) PTGS2PTGS1PTGDR2ALOX5GRM2

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 688/4885CNR1 183/4885

“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.