SCHEMBL755764

SCHEMBL755764

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

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 15/20 0.42
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 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 0.87 BRD4 (0.47) BRD4KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL758124 0.80 BRD4 (0.42) BRD4KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL20424531 0.72 KDM4E (0.48) BRD4KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL7705112 0.71 STAT5B (0.46) POLBHPGD
SCHEMBL7707821 0.71 AKT1 (0.48) ALDH1A1SMN1; SMN2POLB
SCHEMBL7702197 0.70 RIPK1 (0.43)
SCHEMBL7705341 0.70 TSHR (0.40) SMN1; SMN2
SCHEMBL6338886 0.70 TAS2R14 (0.42) ALDH1A1SMN1; SMN2POLB
SCHEMBL23589336 0.69 ALDH1A1 (0.48) BRD4KDM4EALDH1A1SMN1; SMN2PDE3B
SCHEMBL12961001 0.69 BRD4 (0.54) BRD4KDM4EALDH1A1SMN1; SMN2PDE3B

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.