SCHEMBL4289283

SCHEMBL4289283

CC(C)(C)OC(=O)Nc1c(F)cc(Br)cc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 2/20 0.40
AAK1 Q2M2I8 4/20 0.40
HSD17B10 Q99714 1/20 0.38
ATR Q13535 1/20 0.38
USP30 Q70CQ3 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C4 P17516 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
AKR1C1 Q04828 1/20 0.35
MAP2K1 Q02750 1/20 0.34
CYP17A1 P05093 1/20 0.34
SYK P43405 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
CA12 O43570 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
SCHEMBL3987631 0.89 LCK (0.40) LCKAAK1ATRUSP30NPC1
SCHEMBL22314427 0.88 LCK (0.45) LCKAAK1ATRUSP30NPC1
SCHEMBL8773870 0.79 ALDH1A1 (0.43) HSD17B10NPC1RAB9ASMN1; SMN2AKR1C4
SCHEMBL1346055 0.77 ALB (0.44) LCKATRNPC1RAB9ASYK
SCHEMBL27537751 0.76 LCK (0.44) LCKATRNPC1RAB9AMEN1
SCHEMBL27969586 0.76 LCK (0.44) LCKATRNPC1RAB9AMEN1
SCHEMBL8280454 0.75 ALDH1A1 (0.49) AAK1HSD17B10ATRSMN1; SMN2MEN1
SCHEMBL29274467 0.74 ATR (0.42) LCKATRNPC1RAB9AMAP2K1
SCHEMBL31716085 0.74 LCK (0.45) LCKAAK1ATRRAB9ASMN1; SMN2
SCHEMBL29948386 0.74 ATR (0.42) LCKATRNPC1RAB9AMAP2K1

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 LCK 3690/4885AAK1 1781/4885HSD17B10 813/4885
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 LCK 3690/4885AAK1 1781/4885HSD17B10 813/4885
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 LCK 3690/4885AAK1 1781/4885HSD17B10 813/4885

“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.