SCHEMBL755624

SCHEMBL755624

CC1(C)Oc2ccc(NS(C)(=O)=O)c(F)c2N(c2ccc(Cl)c(COC(=O)c3ccccc3)c2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.38
POLB P06746 2/20 0.34
GLO1 Q04760 1/20 0.34
ALDH1A1 P00352 4/20 0.33
MAPT P10636 3/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 3/20 0.32
TRPV1 Q8NER1 3/20 0.32
KDM4E B2RXH2 1/20 0.32
RCE1 Q9Y256 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL753817 0.86 NR3C2 (0.43) NR3C2POLBGLO1ALDH1A1MAPT
SCHEMBL758866 0.83 NR3C2 (0.54) NR3C2POLBALDH1A1MAPTRECQL
SCHEMBL755625 0.75 TDP1 (0.33) POLBALDH1A1MAPTRAB9AKMT2A
SCHEMBL753405 0.70 NR3C2 (0.44) NR3C2ALDH1A1KDM4ERCE1MEN1
SCHEMBL754185 0.70 NR3C2 (0.61) NR3C2POLBGLO1ALDH1A1MAPT
SCHEMBL756053 0.70 NR3C2 (0.51) NR3C2TRPV1
SCHEMBL756042 0.66 NR3C2 (0.55) NR3C2ALDH1A1KDM4ERCE1
SCHEMBL754319 0.66 NR3C2 (0.65) NR3C2
SCHEMBL27455851 0.63 RAB9A (0.65) POLBALDH1A1MAPTRAB9AKMT2A
SCHEMBL755980 0.63 NR3C2 (0.56) NR3C2ALDH1A1MEN1KMT2A

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 6 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

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 1/4885POLB 3875/4885GLO1 4422/4885
US-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 NR3C2 1/4885POLB 3875/4885GLO1 4422/4885

“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.