SCHEMBL3758749

SCHEMBL3758749

CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1CN2S(=O)(=O)c1cc(Br)cnc1N

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.56
HSD17B10 Q99714 3/20 0.50
KDM4E B2RXH2 2/20 0.50
F13A1 P00488 1/20 0.49
TGM2 P21980 1/20 0.49
TGM1 P22735 1/20 0.49
GPR119 Q8TDV5 2/20 0.42
HDAC1 Q13547 2/20 0.41
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PARP1 P09874 1/20 0.37
POLB P06746 1/20 0.37
SHMT2 P34897 1/20 0.36
PLA2G1B P04054 1/20 0.36
ATG4B Q9Y4P1 1/20 0.36
SPR P35270 1/20 0.36
SRC P12931 1/20 0.35

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
SCHEMBL3758746 1.00 HSD11B1 (0.56) HSD11B1HSD17B10KDM4EF13A1TGM2
SCHEMBL3766725 1.00 HSD11B1 (0.56) HSD11B1HSD17B10KDM4EF13A1TGM2
SCHEMBL858034 0.86 HSD17B10 (0.48) HSD11B1HSD17B10KDM4EGAANPC1
SCHEMBL856073 0.84 HSD17B10 (0.53) HSD11B1HSD17B10KDM4EF13A1TGM2
SCHEMBL859644 0.81 HSD17B10 (0.59) HSD17B10KDM4EGPR119HDAC1GAA
SCHEMBL3753668 0.80 HSD17B10 (0.47) HSD11B1HSD17B10KDM4EGAANPC1
SCHEMBL17075769 0.78 HSD11B1 (0.64) HSD11B1KDM4EF13A1TGM2TGM1
SCHEMBL15932400 0.78 HSD11B1 (0.64) HSD11B1KDM4EF13A1TGM2TGM1
SCHEMBL17075765 0.78 HSD11B1 (0.64) HSD11B1KDM4EF13A1TGM2TGM1
SCHEMBL856502 0.78 HSD17B10 (0.76) HSD17B10KDM4EF13A1TGM2TGM1

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 HSD11B1 575/4885HSD17B10 1254/4885KDM4E 610/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD11B1 554/4885HSD17B10 1066/4885KDM4E 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.