SCHEMBL595157

SCHEMBL595157

COC(=O)c1nc(Br)ccc1OCCOc1ccc(NC(=O)OC(C)(C)C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA9 Q16790 3/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
S1PR4 O95977 1/20 0.40
CYP17A1 P05093 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
MAPT P10636 1/20 0.39
MAPKAPK2 P49137 5/20 0.38
MAP4K4 O95819 1/20 0.38
ADAMTS4 O75173 1/20 0.38
ATR Q13535 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
SCHEMBL13283745 0.90 S1PR4 (0.39) CA12CA1CA2CA9MEN1
SCHEMBL594855 0.88 EGFR (0.42) MEN1KMT2AS1PR4LMNASIRT2
SCHEMBL595040 0.86 L3MBTL1 (0.44) CA12CA1CA2CA9S1PR4
SCHEMBL594987 0.80 MAPT (0.54) MEN1KMT2AS1PR4LMNAMAPT
SCHEMBL594740 0.79 EGFR (0.42) MEN1KMT2ASIRT2MAPT
SCHEMBL22568331 0.77 LMNA (0.51) CA12CA1CA2CA9MEN1
SCHEMBL2483197 0.76 L3MBTL1 (0.45) CA12CA1CA2CA9MEN1
SCHEMBL594717 0.76 MAPT (0.49) MEN1KMT2AS1PR4MAPT
SCHEMBL10227460 0.76 S1PR4 (0.47) CA9MEN1KMT2AS1PR4LMNA
SCHEMBL13827423 0.74 CYP17A1 (0.48) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
EP-2376085-B1 COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2014-02-26 EP disclosed
US-20140005190-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2014-01-02 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
EP-2376085-A1 COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-10-19 EP disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 US disclosed
WO-2010080478-A1 COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2010-07-15 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-20140005190-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX CA12 2017/4885CA1 2798/4885CA2 1854/4885

“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.