SCHEMBL3559989

SCHEMBL3559989

O=C(NS(=O)(=O)c1ccc(C(F)(F)F)cc1)C1=NN(c2ccc(Cl)cc2Cl)C(c2ccccc2)C1

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 13/20 0.79
CNR2 P34972 8/20 0.79
FLT1 P17948 5/20 0.43
FLT4 P35916 5/20 0.43
KDR P35968 5/20 0.43
EEF2K O00418 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL3560023 0.92 CNR1 (0.77) CNR1CNR2FLT1FLT4KDR
SCHEMBL3561761 0.88 CNR1 (1.00) CNR1CNR2
SCHEMBL2290556 0.83 CNR1 (0.66) CNR1CNR2FLT1FLT4KDR
SCHEMBL13313063 0.82 CNR1 (0.75) CNR1CNR2
SCHEMBL3569818 0.81 CNR1 (0.68) CNR1CNR2FLT1FLT4KDR
SCHEMBL16340085 0.80 CNR1 (0.74) CNR1CNR2FLT1FLT4KDR
SCHEMBL3562440 0.80 CNR1 (0.74) CNR1CNR2FLT1FLT4KDR
SCHEMBL3562279 0.80 CNR1 (1.00) CNR1CNR2
SCHEMBL3566222 0.77 CNR1 (0.67) CNR1CNR2
SCHEMBL4781540 0.77 CNR1 (0.59) CNR1CNR2EEF2KL3MBTL1

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-7745476-B2 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2010-06-29 US disclosed
EP-1713475-B1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-07-30 EP disclosed
EP-1713475-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2006-10-25 EP disclosed
WO-2005074920-A1 1,3,5-TRISUBSTITUTED 4,5-DIHYDRO-1H-PYRAZOLE DERIVATIVES HAVING CB1-ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2005-08-18 WO disclosed
US-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-08-04 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-20050171179-A1 1,3,5-trisubstituted 4,5-dihydro-1H-pyrazole derivatives having CB1-antagonistic activity CNR2, CNR1, TBXA2R CNR1 2/4885CNR2 1/4885FLT1 2887/4885

“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.