SCHEMBL4296397

SCHEMBL4296397

Cc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3c(c2)NC(=O)CO3)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 17/20 1.00
NR3C1 P04150 4/20 0.73
PGR P06401 3/20 0.73
CYP2C9 P11712 3/20 0.53
PTGS2 P35354 2/20 0.53
PTGES O14684 1/20 0.53
HDAC3 O15379 1/20 0.53
PDPK1 O15530 1/20 0.53
CA12 O43570 1/20 0.53
PDE5A O76074 1/20 0.53
ABCB11 O95342 1/20 0.53
MT-CO2 P00403 1/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
LMNA P02545 1/20 0.53
CA3 P07451 1/20 0.53
CYP3A4 P08684 1/20 0.53
ALOX5 P09917 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CYP2D6 P10635 1/20 0.53

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
SCHEMBL4299786 0.91 NR3C2 (0.85) NR3C2NR3C1PGRCYP2C9PTGS2
SCHEMBL4290926 0.91 NR3C2 (1.00) NR3C2NR3C1PGR
SCHEMBL4290786 0.90 NR3C2 (1.00) NR3C2NR3C1PGRPTGS2PDPK1
SCHEMBL4286851 0.90 NR3C2 (0.83) NR3C2NR3C1PGRPTGS2PTGS1
SCHEMBL4293617 0.89 NR3C2 (0.81) NR3C2NR3C1PGRPTGS2
SCHEMBL4295835 0.89 NR3C2 (0.81) NR3C2NR3C1PGRPTGS2PTGS1
SCHEMBL4298761 0.89 NR3C2 (0.81) NR3C2NR3C1PGRPTGS2PTGS1
SCHEMBL4289264 0.89 NR3C2 (0.81) NR3C2NR3C1PGRCYP2C9PTGS2
SCHEMBL4293583 0.88 NR3C2 (0.78) NR3C2NR3C1PGRPDPK1
SCHEMBL4289245 0.87 NR3C2 (0.79) NR3C2NR3C1PGRPTGS2PTGS1

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 4 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
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US disclosed
US-20090253687-A1 Fused Heterocyclic Compounds and Their Use as Mineralocorticoid Receptor Ligands TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-10-08 US 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 NR3C2 1/4885NR3C1 2/4885PGR 408/4885

“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.