SCHEMBL3985264

SCHEMBL3985264

O=C1COC(c2cccs2)c2cc(-c3cccn3C(=O)O)ccc2N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 11/20 0.39
NSD2 O96028 1/20 0.35
NR3C2 P08235 1/20 0.35
AR P10275 1/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
BRD4 O60885 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3991043 0.87 ALDH1A1 (0.36) PGRNSD2NR3C2ARALDH1A1
SCHEMBL3985408 0.78 PGR (0.68) PGRNR3C2AR
SCHEMBL3984387 0.76 PGR (0.47) PGRALDH1A1CYP3A4MAPK1CYP1A2
SCHEMBL3982545 0.75 MAPT (0.49) PGRNSD2ALDH1A1CYP3A4MAPK1
SCHEMBL3983650 0.74 PGR (0.63) PGRNR3C2AR
SCHEMBL3987391 0.73 PGR (0.48) PGRNR3C2ARALDH1A1MAPT
SCHEMBL3983055 0.73 PGR (0.67) PGRNR3C2ARALDH1A1CYP3A4
SCHEMBL3982776 0.71 PGR (0.67) PGRNR3C2AR
SCHEMBL3985049 0.71 PGR (0.67) PGRNR3C2AR
SCHEMBL3990700 0.70 PGR (0.58) PGRNR3C2AR

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-7598237-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2009-10-06 US disclosed
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators WYETH (US) 2008-06-12 US disclosed
US-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators WYETH (US) 2008-05-15 US disclosed
US-7323455-B2 7-aryl 1,5-dihydro-4,1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2008-01-29 US disclosed
WO-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO disclosed
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators WYETH (US) 2005-09-29 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 (3 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-20080113964-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives and Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 PGR 1/4885NSD2 2527/4885NR3C2 6/4885
US-20080139530-A1 7-Aryl 1,5-Dihydro-4,1-Benzoxazepin-2(3H)-One Derivatives And Their Use As Progesterone Receptor Modulators PGR, GPER1, PGRMC2 PGR 1/4885NSD2 2527/4885NR3C2 6/4885
US-20050215539-A1 7-aryl 1,5-dihydro-4, 1-benzoxazepin-2(3H)-one derivatives and their use as progesterone receptor modulators PGR, GPER1, PGRMC2 PGR 1/4885NSD2 2527/4885NR3C2 6/4885

“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.