SCHEMBL12679232

SCHEMBL12679232

CC(C)(C)OC(=O)NCC(NC(=O)c1ccc(B2OC(C)(C)C(C)(C)O2)s1)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.38
CTSS P25774 3/20 0.38
CTSK P43235 2/20 0.38
USP30 Q70CQ3 1/20 0.37
AAK1 Q2M2I8 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
HDAC3 O15379 3/20 0.35
HDAC4 P56524 3/20 0.35
HDAC1 Q13547 3/20 0.35
HDAC6 Q9UBN7 3/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
ATM Q13315 1/20 0.34

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
SCHEMBL8233787 0.81 HDAC3 (0.43) SYKCTSSCTSKHDAC3HDAC4
SCHEMBL12679233 0.76 AKT1 (0.40) SYKCTSSCTSK
SCHEMBL8240267 0.75 AKT1 (0.44) SYKCTSSCTSKAAK1CTSL
SCHEMBL6690446 0.73 CTSK (0.48) SYKCTSSCTSKCTSLCTSB
SCHEMBL12784878 0.73 PRMT5 (0.49) USP30AAK1PRMT5WDR77
SCHEMBL17599482 0.72 USP30 (0.46) USP30AAK1PRMT5WDR77HDAC3
SCHEMBL8233879 0.71 PIN1 (0.41) CTSL
SCHEMBL22290822 0.71 USP30 (0.44) USP30AAK1PRMT5WDR77
SCHEMBL15983852 0.71 CTSK (0.50) SYKCTSSCTSKCTSLCTSB
SCHEMBL16379594 0.71 CTSK (0.50) SYKCTSSCTSKCTSLCTSB

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 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20130231378-A1 INHIBITORS OF AkT ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20090209607-A1 INHIBITORS OF AKT ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20160287561-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20110071182-A1 Inhibitors of AKT Activity AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20150152092-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885
US-20100041726-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, AKT3 SYK 599/4885CTSS 1420/4885CTSK 1012/4885

“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.