SCHEMBL15522700

SCHEMBL15522700

CC(C)(C)N(C(=O)O)[C@@H]1CCN(S(=O)(=O)c2cc(Br)cnc2N)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.50
KDM4E B2RXH2 2/20 0.50
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPC1 O15118 1/20 0.38
GAA P10253 1/20 0.37
LMNA P02545 2/20 0.37
GFER P55789 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
CASP6 P55212 1/20 0.35
ATR Q13535 1/20 0.35
SHMT2 P34897 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
SCHEMBL3763686 0.89 LMNA (0.37) HSD17B10KDM4EGAALMNAALDH1A1
SCHEMBL856345 0.78 HSD17B10 (0.54) HSD17B10KDM4EPLA2G1BATG4BNPC1
SCHEMBL856344 0.78 HSD17B10 (0.54) HSD17B10KDM4EPLA2G1BATG4BNPC1
SCHEMBL862151 0.77 BRD4 (0.40)
SCHEMBL858262 0.77 HSD17B10 (0.54) HSD17B10KDM4EPLA2G1BATG4BNPC1
SCHEMBL3764812 0.77 HSD17B10 (0.54) HSD17B10KDM4EPLA2G1BATG4BNPC1
SCHEMBL857257 0.77 HSD17B10 (0.52) HSD17B10KDM4EPLA2G1BATG4BNPC1
SCHEMBL21049727 0.76 EPHX2 (0.47) KDM4EALDH1A1
SCHEMBL21049728 0.76 EPHX2 (0.47) KDM4EALDH1A1
SCHEMBL1487423 0.76 ALDH1A1 (0.32) ALDH1A1

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1066/4885KDM4E 760/4885PLA2G1B 2230/4885

“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.