SCHEMBL12679237

SCHEMBL12679237

Cc1cc(C(=O)NC(CNC(=O)OC(C)(C)C)Cc2ccccc2)sc1-c1ccnn1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
SYK P43405 1/20 0.42
AKT1 P31749 4/20 0.40
APP P05067 4/20 0.40
CTSS P25774 3/20 0.38
CTSL P07711 2/20 0.38
CTSB P07858 2/20 0.38
CTSK P43235 1/20 0.38
KDM4E B2RXH2 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CTSV O60911 1/20 0.38
ACE P12821 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL1529345 0.84 AKT1 (0.49) SYKAKT1CTSSCTSLCTSB
SCHEMBL12679239 0.83 AKT1 (0.44) ATMAKT1CTSSCTSLCTSB
SCHEMBL1529393 0.82 MCL1 (0.38) AKT1CTSSCTSLCTSBKDM4E
SCHEMBL12679238 0.82 ATM (0.42) ATMSYKAKT1APPCTSS
SCHEMBL12767695 0.81 ATM (0.44) ATMSYKAKT1APPCTSS
SCHEMBL12679656 0.81 ATM (0.44) ATMSYKAKT1APPCTSS
SCHEMBL12679254 0.80 ATM (0.45) ATMSYKAKT1APPCTSS
SCHEMBL13300010 0.80 ATM (0.46) ATMSYKAKT1APPCTSS
SCHEMBL13577915 0.79 ATM (0.44) ATMSYKAKT1APPCTSS
SCHEMBL14114876 0.79 ATM (0.44) ATMSYKAKT1APPCTSS

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 15 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

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 599/4885AKT1 2/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 ATM 2376/4885SYK 599/4885AKT1 2/4885

“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.