SCHEMBL758124

SCHEMBL758124

CC(C)(C)CS(=O)(=O)N(Cc1ccc2c(c1)OC(C)(C)C(=O)N2)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 16/20 0.42
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.35
HPGD P15428 1/20 0.35
MAPT P10636 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34

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
SCHEMBL4525117 0.88 BRD4 (0.47) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL20424531 0.73 KDM4E (0.48) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL753822 0.71 BRD4 (0.50) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL12961001 0.70 BRD4 (0.54) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL23589336 0.68 ALDH1A1 (0.48) BRD4KDM4EALDH1A1SMN1; SMN2MAPT
SCHEMBL13386907 0.65 BRD4 (0.48) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL755992 0.64 BRD4 (0.50) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL9462366 0.64 KDM4E (0.55) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL16774887 0.63 BRD4 (0.50) BRD4KDM4EALDH1A1SMN1; SMN2POLB
SCHEMBL27822550 0.63 KDM4E (0.58) BRD4KDM4EALDH1A1SMN1; SMN2POLB

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
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

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-20110251185-A1 BENZOXAZINES AND RELATED NITROGEN-CONTAINING HETEROBICYCLIC COMPOUNDS USEFUL AS MINERALOCORTICOID RECEPTOR MODULATING AGENTS NR3C2, MC2R, NR3C1 BRD4 203/4885KDM4E 2881/4885ALDH1A1 2133/4885

“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.