SCHEMBL856020

SCHEMBL856020

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2cc(Br)cnc2N)CC1

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.78
KDM4E B2RXH2 2/20 0.78
GAA P10253 1/20 0.52
CCR8 P51685 1/20 0.48
SFRP1 Q8N474 4/20 0.47
LMNA P02545 1/20 0.46
BRD4 O60885 1/20 0.45
GFER P55789 1/20 0.44
KMT2A Q03164 1/20 0.44
STS P08842 2/20 0.44
ALDH1A1 P00352 1/20 0.43
GPR119 Q8TDV5 1/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
NPC1 O15118 1/20 0.42
USP30 Q70CQ3 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
SCHEMBL856401 0.94 HSD17B10 (0.69) HSD17B10KDM4EGAACCR8SFRP1
SCHEMBL856400 0.94 HSD17B10 (0.69) HSD17B10KDM4EGAACCR8SFRP1
SCHEMBL858797 0.94 HSD17B10 (0.69) HSD17B10KDM4EGAACCR8SFRP1
SCHEMBL856621 0.90 HSD17B10 (0.63) HSD17B10KDM4EGAALMNABRD4
SCHEMBL856413 0.85 HSD17B10 (0.60) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL855587 0.85 HSD17B10 (0.74) HSD17B10KDM4EGAALMNAGFER
SCHEMBL27868753 0.84 HSD17B10 (0.67) HSD17B10KDM4EGAALMNAGFER
SCHEMBL856050 0.83 HSD17B10 (0.60) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL856051 0.83 HSD17B10 (0.60) HSD17B10KDM4EGAAGFERKMT2A
SCHEMBL31197477 0.82 HSD17B10 (0.53) HSD17B10KDM4EGAABRD4ALDH1A1

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 7 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
CN-103459384-A Benzoxazepines as inhibitors of PI3K/mTOR and methods of their use and manufacture EXELIXIS INC 2013-12-18 CN disclosed
CN-102459249-A Benzoxazepines based p13k/mt0r inhibitors against proliferative diseases EXELIXIS INC 2012-05-16 CN 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.