Sugi Predict

Sugi Predict / Compounds / SCHEMBL1008650

SCHEMBL1008650

SCHEMBL1008650

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

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.33
▸ PPARD Q03181 2/20 0.33
▸ PPARA Q07869 2/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ MALT1 Q9UDY8 1/20 0.31
▸ PTGS2 P35354 4/20 0.31
▸ PTGS1 P23219 2/20 0.31
▸ PTGER4 P35408 1/20 0.31
▸ NAMPT P43490 2/20 0.31
▸ PTGES O14684 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ TP53 P04637 1/20 0.30
▸ GCGR P47871 2/20 0.30
▸ GIPR P48546 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
SCHEMBL1010485 0.94 CNR1 (0.34) PPARGPPARDPPARACNR1CNR2
SCHEMBL1008999 0.93 IGF1R (0.32) MALT1TP53
SCHEMBL1009249 0.91 NAMPT (0.37) PPARGPPARDPPARACNR1CNR2
SCHEMBL1010447 0.89 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL1010504 0.89 PPARG (0.30) PPARGPPARDPPARA
SCHEMBL1009110 0.89 PTGS2 (0.34) PPARGPPARDPPARACYP2C9PTGDR2
SCHEMBL1008550 0.89 PTGS2 (0.33) PPARGPPARDPPARAMALT1PTGS2
SCHEMBL1009181 0.88 GRM2 (0.34) PPARGPPARDPPARACNR1CNR2
Hydrochloric Acid SCHEMBL1472516 0.88 PTGS2 (0.33) PPARGPPARDPPARACYP2C9PTGDR2
SCHEMBL1008714 0.88 PTGS2 (0.35) PPARGPPARDPPARACNR1CNR2

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 5 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 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 PPARG 385/4885PPARD 397/4885PPARA 381/4885

“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.