SCHEMBL756931

SCHEMBL756931

CC1(c2ccccc2)Oc2cc(NS(C)(=O)=O)ccc2N(c2ccc(F)cc2)C1=O

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 9/20 0.74
BRD4 O60885 2/20 0.38
XIAP P98170 1/20 0.38
BIRC2 Q13490 1/20 0.38
PGR P06401 3/20 0.37
ESR1 P03372 1/20 0.37
AR P10275 1/20 0.37
ESR2 Q92731 1/20 0.37
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36

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
Mt-3995 SCHEMBL753911 0.85 NR3C2 (1.00) NR3C2BRD4ARPTGS2
SCHEMBL755137 0.81 NR3C2 (1.00) NR3C2BRD4PGRESR1AR
SCHEMBL756162 0.81 NR3C2 (0.46) NR3C2XIAPBIRC2PGRALDH1A1
SCHEMBL753806 0.80 NR3C2 (0.79) NR3C2BRD4PGRALDH1A1
SCHEMBL753325 0.80 NR3C2 (0.74) NR3C2BRD4XIAPBIRC2PGR
SCHEMBL753867 0.79 NR3C2 (1.00) NR3C2BRD4PGRESR1AR
SCHEMBL756266 0.78 NR3C2 (0.79) NR3C2BRD4PGRARALDH1A1
SCHEMBL25688756 0.78 NR3C2 (0.78) NR3C2BRD4PGRARUSP2
SCHEMBL754339 0.76 NR3C2 (1.00) NR3C2PGRAR
SCHEMBL753703 0.75 NR3C2 (0.81) NR3C2BRD4AR

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 8 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
EP-1984345-B9 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS IIJIMA TORU 2011-10-13 US disclosed
EP-1984345-B1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS MITSUBISHI TANABE PHARMA CORP (JP) 2011-08-31 EP disclosed
US-7998956-B2 Benzoxazines and related nitrogen-containing heterobicyclic compounds useful as mineralocorticoid receptor modulating agents MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-08-16 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 (2 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 1/4885BRD4 203/4885XIAP 4449/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885BRD4 203/4885XIAP 4449/4885

“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.