SCHEMBL3763686

SCHEMBL3763686

CC(C)(C)N(C(=O)O)[C@H]1CCN(S(=O)(=O)c2cc(Br)cnc2O)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.37
KDM4E B2RXH2 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CASP6 P55212 1/20 0.35
ATAD2 Q6PL18 3/20 0.33
CECR2 Q9BXF3 3/20 0.33
BRD4 O60885 2/20 0.33
MAPT P10636 2/20 0.33
OPRK1 P41145 1/20 0.32
RORC P51449 1/20 0.32
TSHR P16473 3/20 0.32
MAPK1 P28482 2/20 0.32
GAA P10253 1/20 0.32
USP2 O75604 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
FNTA P49354 2/20 0.31
FNTB P49356 2/20 0.31

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
SCHEMBL15522700 0.89 HSD17B10 (0.50) LMNAKDM4EHSD17B10CASP6GAA
SCHEMBL862151 0.78 BRD4 (0.40) BRD4OPRK1
SCHEMBL21049728 0.77 EPHX2 (0.47) KDM4EALDH1A1
SCHEMBL21049727 0.77 EPHX2 (0.47) KDM4EALDH1A1
SCHEMBL3762883 0.76 KDM4E (0.43) LMNAKDM4EHSD17B10CASP6OPRK1
SCHEMBL6120288 0.76 KDM4E (0.43) LMNAKDM4EHSD17B10CASP6OPRK1
SCHEMBL1487423 0.74 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL12150061 0.74 ALDH1A1 (0.32) TSHRALDH1A1
SCHEMBL858676 0.73 BRD4 (0.48) KDM4EHSD17B10BRD4RORC
SCHEMBL16460583 0.73 HSD17B10 (0.43) LMNAKDM4EHSD17B10CASP6OPRK1

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 LMNA 2593/4885KDM4E 610/4885HSD17B10 1254/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA LMNA 2157/4885KDM4E 760/4885HSD17B10 1066/4885

“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.