SCHEMBL858973

SCHEMBL858973

Nc1ncc(Br)cc1S(=O)(=O)NCCNC(=O)O

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.57
KMT2A Q03164 6/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 1/20 0.57
HSD17B10 Q99714 3/20 0.56
ALDH1A1 P00352 3/20 0.56
GAA P10253 2/20 0.56
LMNA P02545 2/20 0.55
GFER P55789 1/20 0.55
NPC1 O15118 1/20 0.52
KDM4E B2RXH2 2/20 0.50
NPY1R P25929 1/20 0.50
NPY2R P49146 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PLA2G1B P04054 1/20 0.49
ATG4B Q9Y4P1 1/20 0.49

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
SCHEMBL856337 0.92 MEN1 (0.55) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL742729 0.83 ALDH1A1 (0.57) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL856285 0.83 HSD17B10 (0.53) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL742668 0.82 NPC1 (0.55) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL741550 0.81 KMT2A (0.54) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL856830 0.81 PLA2G1B (0.56) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL855475 0.80 NPC1 (0.52) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL859102 0.78 NPC1 (0.54) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL18175532 0.78 GAA (0.55) MEN1KMT2AMAPTRAB9AHSD17B10
SCHEMBL858850 0.77 NPC1 (0.59) MEN1KMT2AMAPTRAB9AHSD17B10

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 MEN1 3183/4885KMT2A 2645/4885MAPT 1278/4885
US-20140107100-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MEN1 2920/4885KMT2A 2282/4885MAPT 1136/4885
US-20140080810-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA MEN1 3264/4885KMT2A 3064/4885MAPT 1639/4885

“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.