SCHEMBL3762844

SCHEMBL3762844

CC(C)(C)OC(=O)NC1(CNS(=O)(=O)c2cc(Br)cnc2N)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.47
GAA P10253 2/20 0.47
KDM4E B2RXH2 2/20 0.44
KMT2A Q03164 6/20 0.44
GFER P55789 2/20 0.44
MEN1 O00255 5/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLA2G1B P04054 1/20 0.43
ATG4B Q9Y4P1 1/20 0.43
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
SHMT2 P34897 1/20 0.41
NPY1R P25929 1/20 0.41
NPY2R P49146 1/20 0.41

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
SCHEMBL856285 0.80 HSD17B10 (0.53) HSD17B10GAAKMT2AGFERMEN1
SCHEMBL27930191 0.79 HSD17B10 (0.46) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL856622 0.78 GAA (0.52) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL856930 0.77 HSD17B10 (0.51) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL858360 0.76 KMT2A (0.46) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL857160 0.76 KMT2A (0.53) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL858869 0.76 HSD17B10 (0.47) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL12810107 0.74 P2RX7 (0.37) RAB9ANPC1
SCHEMBL855841 0.74 HSD17B10 (0.50) HSD17B10GAAKDM4EKMT2AGFER
SCHEMBL27868784 0.74 MEN1 (0.48) HSD17B10GAAKDM4EKMT2AGFER

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-03-20 US disclosed
US-8648066-B2 Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS, INC. (US) 2014-02-11 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1254/4885GAA 752/4885KDM4E 610/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1066/4885GAA 686/4885KDM4E 760/4885

“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.