SCHEMBL3755359

SCHEMBL3755359

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALOX5AP P20292 1/20 0.48
FEN1 P39748 1/20 0.48
BRD4 O60885 2/20 0.47
MAP4K4 O95819 2/20 0.44
JAK3 P52333 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
CTSK P43235 2/20 0.42
GAA P10253 1/20 0.40
NAMPT P43490 1/20 0.40
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM4D Q6B0I6 1/20 0.39
RORC P51449 1/20 0.39
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL3760824 1.00 HSD17B10 (0.51) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL856038 1.00 HSD17B10 (0.51) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL3766037 0.94 ALOX5AP (0.54) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL3750670 0.94 HSD17B10 (0.55) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL855425 0.92 HSD17B10 (0.52) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL858676 0.89 BRD4 (0.48) HSD17B10KDM4EALOX5APFEN1BRD4
SCHEMBL3814254 0.87 BRD4 (0.48) ALOX5APFEN1BRD4MAP4K4JAK3
SCHEMBL3764812 0.86 HSD17B10 (0.54) HSD17B10KDM4EALOX5APFEN1GAA
SCHEMBL858262 0.86 HSD17B10 (0.54) HSD17B10KDM4EALOX5APFEN1GAA
SCHEMBL855965 0.84 HSD17B10 (0.46) HSD17B10KDM4EMAP4K4JAK2JAK1

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 1254/4885KDM4E 610/4885ALOX5AP 1041/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 1066/4885KDM4E 760/4885ALOX5AP 1209/4885

“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.