SCHEMBL4522232

SCHEMBL4522232

CC1(C)Oc2cc(CN(C(=O)O)S(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 6/20 0.59
HTR2A P28223 1/20 0.35
ALKBH5 Q6P6C2 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HIF1A Q16665 2/20 0.34
EPAS1 Q99814 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
F2 P00734 2/20 0.34
F10 P00742 2/20 0.34
ITGB3 P05106 2/20 0.34
ITGA2B P08514 2/20 0.34
GRM2 Q14416 1/20 0.33

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
SCHEMBL757652 0.90 NR3C2 (0.50) NR3C2HTR2AALKBH5MEN1KMT2A
SCHEMBL757651 0.89 NR3C2 (0.52) NR3C2MEN1KMT2AGRM2
SCHEMBL18373035 0.89 NR3C2 (0.62) NR3C2MEN1KMT2AHIF1AEPAS1
SCHEMBL2269447 0.81 NR3C2 (0.69) NR3C2
SCHEMBL16774522 0.78 NR3C2 (0.65) NR3C2
SCHEMBL16978179 0.77 NR3C2 (0.61) NR3C2KMT2AHIF1AEPAS1
SCHEMBL20407320 0.77 NR3C2 (0.63) NR3C2
SCHEMBL20407307 0.77 NR3C2 (0.63) NR3C2
SCHEMBL19308741 0.75 NR3C2 (0.61) NR3C2MEN1KMT2A
Mt-3995 SCHEMBL753911 0.74 NR3C2 (1.00) NR3C2

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-8188073-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-05-29 US disclosed
US-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-22 US disclosed
EP-1984345-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS Mitsubishi Tanabe Pharma Corporation (JP) 2008-10-29 EP disclosed
WO-2007089034-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-08-09 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-20090023716-A1 Benzoxazines and Related Nitrogen-Containing Heterobicyclic Compounds Useful as Mineralocorticoid Receptor Modulating Agents NR3C2, MC2R, NR3C1 NR3C2 1/4885HTR2A 554/4885ALKBH5 4326/4885

“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.