SCHEMBL1067600

SCHEMBL1067600

CC(C)(C)OC(=O)N[C@@H](CC1CCCCO1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.48
CTSS P25774 5/20 0.48
IDO1 P14902 1/20 0.42
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PPARA Q07869 5/20 0.38
PPARG P37231 4/20 0.38
ACE P12821 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CACNA1B Q00975 2/20 0.37
KMT2A Q03164 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
PPARD Q03181 2/20 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
SCHEMBL1067601 1.00 CTSK (0.48) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL1067599 1.00 CTSK (0.48) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL1066866 0.96 CTSK (0.46) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL1066867 0.96 CTSK (0.46) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL1066864 0.96 CTSK (0.46) CTSKCTSSIDO1HDAC4HDAC1
SCHEMBL3610582 0.89 CTSK (0.45) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL3610585 0.89 CTSK (0.45) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL20821053 0.85 CTSK (0.43) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL20821056 0.85 CTSK (0.43) CTSKCTSSHDAC4HDAC1HDAC6
SCHEMBL1066498 0.82 CTSS (0.40) CTSKCTSSHDAC4HDAC1HDAC6

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-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
US-8178689-B2 Tricyclic compounds HOFFMAN-LA ROCHE INC. (US) 2012-05-15 US disclosed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP disclosed
WO-2011157682-A1 3-OXO-3,9-DIHYDRO-1H-CHROMENO[2,3-C]PYRROLES AS GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2011-12-22 WO disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
US-20110313002-A1 TRICYCLIC COMPOUNDS SARABU RAMAKANTH (US) 2011-12-22 US disclosed
EP-2274297-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2011-01-19 EP disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 WO disclosed
WO-2009127546-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2009-10-22 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 (2 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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 CTSK 365/4885CTSS 1598/4885IDO1 2947/4885
US-20110313002-A1 TRICYCLIC COMPOUNDS GPR119, PC, GOT2 CTSK 1825/4885CTSS 1270/4885IDO1 2222/4885

“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.