SCHEMBL858797

SCHEMBL858797

CC(C)(C)OC(=O)N1CC[C@@H](NS(=O)(=O)c2cc(Br)cnc2N)C1

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.69
KDM4E B2RXH2 2/20 0.69
GAA P10253 1/20 0.48
USP30 Q70CQ3 6/20 0.47
BRD4 O60885 2/20 0.47
SFRP1 Q8N474 3/20 0.45
IDO1 P14902 1/20 0.43
TDO2 P48775 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43
CCR8 P51685 1/20 0.42
PIK3CD O00329 1/20 0.42
ALDH1A1 P00352 1/20 0.42

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
SCHEMBL856400 1.00 HSD17B10 (0.69) HSD17B10KDM4EGAAUSP30BRD4
SCHEMBL856401 1.00 HSD17B10 (0.69) HSD17B10KDM4EGAAUSP30BRD4
SCHEMBL856020 0.94 HSD17B10 (0.78) HSD17B10KDM4EGAAUSP30BRD4
SCHEMBL856621 0.92 HSD17B10 (0.63) HSD17B10KDM4EGAAUSP30BRD4
SCHEMBL856749 0.86 HSD17B10 (0.68) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL858759 0.84 HSD17B10 (0.56) HSD17B10KDM4EGAAIDO1TDO2
SCHEMBL855802 0.84 HSD17B10 (0.56) HSD17B10KDM4EGAAIDO1TDO2
SCHEMBL855801 0.84 HSD17B10 (0.56) HSD17B10KDM4EGAAIDO1TDO2
SCHEMBL31197462 0.83 KDM4E (0.49) HSD17B10KDM4EUSP30BRD4IDO1
SCHEMBL8015057 0.82 USP30 (0.57) HSD17B10KDM4EUSP30BRD4SFRP1

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 5 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
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP 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
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO 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 1254/4885KDM4E 610/4885GAA 752/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1066/4885KDM4E 760/4885GAA 686/4885

“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.