SCHEMBL4291091

SCHEMBL4291091

Nc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(F)cc2)ccc1O

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 15/20 0.65
PTGS1 P23219 9/20 0.65
NR3C2 P08235 1/20 0.55
CYP2C9 P11712 1/20 0.52

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
SCHEMBL18448102 0.83 PTGS2 (0.72) PTGS2PTGS1CYP2C9
SCHEMBL4291816 0.81 PTGS1 (0.69) PTGS2PTGS1NR3C2CYP2C9
SCHEMBL14747588 0.79 PTGS2 (0.63) PTGS2PTGS1CYP2C9
SCHEMBL4538661 0.79 NR3C2 (0.65) PTGS2PTGS1NR3C2
Mavacoxib SCHEMBL212699 0.79 PTGS2 (1.00) PTGS2PTGS1CYP2C9
SCHEMBL3246379 0.79 PTGS2 (1.00) PTGS2PTGS1CYP2C9
SCHEMBL4587051 0.78 PTGS2 (0.73) PTGS2PTGS1CYP2C9
SCHEMBL8265772 0.78 PTGS2 (0.73) PTGS2PTGS1CYP2C9
SCHEMBL8917353 0.78 PTGS2 (0.68) PTGS2PTGS1CYP2C9
SCHEMBL15347126 0.78 PTGS2 (0.68) PTGS2PTGS1NR3C2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
EP-1971596-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS Takeda Pharmaceutical Company Limited (JP) 2008-09-24 EP disclosed
WO-2007077961-A2 FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS MINERALOCORTICOID RECEPTOR LIGANDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-12 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-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands NR3C2, NR3C1, MC2R PTGS2 697/4885PTGS1 437/4885NR3C2 1/4885

“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.