SCHEMBL12679253

SCHEMBL12679253

Cn1cc(Br)cc1C(=O)NC(CNC(=O)OC(C)(C)C)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
SYK P43405 1/20 0.48
APP P05067 4/20 0.43
CTSS P25774 7/20 0.42
CTSK P43235 5/20 0.42
CTSB P07858 3/20 0.42
CTSL P07711 1/20 0.42
AKT1 P31749 1/20 0.42
ACE P12821 1/20 0.41
SCN9A Q15858 1/20 0.40
KLK5 Q9Y337 1/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL3510910 0.87 CTRB1 (0.40) ATMCTSLAKT1CYP3A4
SCHEMBL12679251 0.84 ATM (0.51) ATMSYKAPPCTSSCTSK
SCHEMBL12679254 0.82 ATM (0.45) ATMSYKAPPCTSSCTSK
SCHEMBL12679216 0.78 ATM (0.53) ATMSYKAPPCTSSCTSK
SCHEMBL1529784 0.78 CTRB1 (0.36) ATMCTSLCYP3A4
SCHEMBL12767696 0.77 ATM (0.52) ATMSYKAPPCTSSCTSK
SCHEMBL13299998 0.77 ATM (0.52) ATMSYKAPPCTSSCTSK
SCHEMBL12679252 0.77 ATM (0.43) ATMSYKAPPCTSSCTSK
SCHEMBL12681387 0.76 ATM (0.50) ATMSYKAPPCTSSCTSK
SCHEMBL12679268 0.76 ATM (0.50) ATMSYKAPPCTSSCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160287561-A1 Inhibitors of AKT Activity NOVARTIS AG (CH) 2016-10-06 US disclosed
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY NOVARTIS AG (CH) 2015-06-04 US disclosed
US-8946278-B2 Inhibitors of AkT activity GLAXOSMITHKLINE LLC (US) 2015-02-03 US disclosed
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY GLAXOSMITHKLINE LLC (US) 2013-09-05 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8410158-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2013-04-02 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-8273782-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-09-25 US disclosed
US-20110071182-A1 Inhibitors of AKT Activity SMITHKLINE BEECHAM CORPORATION 2011-03-24 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100267759-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2010-10-21 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-02-18 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY NOVARTIS AG (CH) 2009-08-20 US disclosed
WO-2008098104-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-08-14 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 (7 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-20100267759-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885APP 4729/4885

“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.