SCHEMBL506117

SCHEMBL506117

CC(NC(=O)OC(C)(C)C)c1cccc(CO)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.47
GLS O94925 3/20 0.46
ATM Q13315 2/20 0.45
MAPT P10636 1/20 0.45
CTSS P25774 6/20 0.44
ACE P12821 1/20 0.44
CTSB P07858 3/20 0.43
KLK5 Q9Y337 1/20 0.43
CTSL P07711 2/20 0.43

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
SCHEMBL28299509 0.89 CTSK (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL30458149 0.88 CTSK (0.46) CTSKGLSATMMAPTCTSS
SCHEMBL29228867 0.88 CTSK (0.46) CTSKGLSATMMAPTCTSS
SCHEMBL30940056 0.88 CTSK (0.46) CTSKGLSATMMAPTCTSS
SCHEMBL4254298 0.88 GLS (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL4254301 0.88 GLS (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL14987521 0.87 GLS (0.49) CTSKGLSATMMAPTCTSS
SCHEMBL14395967 0.87 CTSK (0.47) CTSKGLSATMMAPTCTSS
SCHEMBL14987513 0.87 GLS (0.51) CTSKGLSATMMAPTCTSS
SCHEMBL207079 0.86 CA1 (0.43) CTSKATMMAPTCTSSACE

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-9630956-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-04-25 US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-01-14 US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 US disclosed
US-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-09-25 US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
US-8623869-B2 Compounds useful as inhibitors of ATR kinase VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-07 US disclosed
CN-103228651-A Compounds useful as inhibitors of atr kinase VERTEX PHARMA 2013-07-31 CN disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-02-02 US disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 WO disclosed
WO-2011163527-A1 PYRROLO- PYRAZINE DERIVATIVES USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-29 WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2011143426-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-17 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2009053277-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2009-04-30 WO disclosed
WO-2008135488-A1 ASPARTYL PROTEASE INHIBITORS MEDIVIR AB (SE) 2008-11-13 WO disclosed
WO-2008107365-A1 NEW COMPOUNDS MEDIVIR AB (SE) 2008-09-12 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-20140288347-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 CTSK 2718/4885GLS 803/4885ATM 50/4885
US-20120027874-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, CHEK2 CTSK 2921/4885GLS 823/4885ATM 32/4885
US-20160009723-A1 COMPOUNDS USEFUL AS INHIBITORS OF ATR KINASE ATR, CHEK1, MAP3K5 CTSK 2718/4885GLS 803/4885ATM 50/4885

“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.