SCHEMBL856502

SCHEMBL856502

CC(C)(C)OC(=O)N1CCN(S(=O)(=O)c2cc(Br)cnc2N)CC1

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.76
KDM4E B2RXH2 2/20 0.76
GAA P10253 1/20 0.51
TGM2 P21980 13/20 0.49
F13A1 P00488 11/20 0.49
TGM1 P22735 8/20 0.49
TGM3 Q08188 1/20 0.45
MAP4K4 O95819 1/20 0.43
GFER P55789 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL859644 0.88 HSD17B10 (0.59) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL856742 0.87 HSD17B10 (0.58) HSD17B10KDM4EGAATGM2F13A1
SCHEMBL6119304 0.83 HSD17B10 (0.71) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL16990306 0.80 TGM2 (0.52) HSD17B10KDM4ETGM2F13A1TGM1
SCHEMBL13415424 0.80 POLB (0.51) HSD17B10KDM4EGAAMAP4K4KMT2A
SCHEMBL856020 0.80 HSD17B10 (0.78) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL3750670 0.80 HSD17B10 (0.55) HSD17B10KDM4EGAAMAP4K4KMT2A
SCHEMBL855761 0.79 HSD17B10 (0.55) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL856413 0.79 HSD17B10 (0.60) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL17843461 0.79 TGM2 (0.53) HSD17B10KDM4ETGM2F13A1TGM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2014-04-17 US disclosed
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-2640366-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE Exelixis, Inc. (US) 2013-09-25 EP disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO 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 (3 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-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HSD17B10 711/4885KDM4E 361/4885GAA 915/4885
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.