SCHEMBL2652706

SCHEMBL2652706

CC(C)(C)OC(=O)C(CC1CCCCCC1)N=C(c1ccccc1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.60
REN P00797 3/20 0.42
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSD P07339 3/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HTR2C P28335 1/20 0.38
SLC6A4 P31645 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
METAP2 P50579 1/20 0.38
METAP1 P53582 1/20 0.38
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP30 Q70CQ3 1/20 0.38
NPY5R Q15761 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
SCHEMBL2652864 1.00 AAK1 (0.60) AAK1RENCTSSCTSKCTSL
SCHEMBL25319859 0.96 AAK1 (0.61) AAK1RENCTSSCTSKCTSL
SCHEMBL19376797 0.87 AAK1 (0.57) AAK1RENCTSSCTSKCTSD
SCHEMBL17643619 0.87 AAK1 (0.57) AAK1RENCTSSCTSKCTSD
SCHEMBL26656125 0.86 AAK1 (0.60) AAK1CTSKKDM4EPKMKMT2A
SCHEMBL25321838 0.83 AAK1 (0.55) AAK1
SCHEMBL1064740 0.81 MEN1 (0.43) AAK1CTSSCTSKCTSLCTSB
SCHEMBL26656155 0.81 AAK1 (0.63) AAK1CTSKKDM4EPKMMEN1
SCHEMBL2325860 0.79 AAK1 (0.71) AAK1CTSKMEN1KMT2AALDH1A1
SCHEMBL28269203 0.79 MEN1 (0.44) AAK1KDM4ESLC6A4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1349856-B1 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2005-06-15 EP disclosed
EP-1349856-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2003-10-08 EP disclosed
US-6482951-B2 ISOINDOLIN-1-ONE-SUBSTITUTED PROPIONAMIDE GLUCOKINASE ACTIVATORS WHICH INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES HOFFMANN-LA ROCHE INC. 2002-11-19 US disclosed
US-20020082260-A1 Isoindolin-1-one glucokinase activators GUERTIN KEVIN RICHARD (US) 2002-06-27 US disclosed
WO-2002048106-A2 ISOINDOLIN-1-ONE GLUCOKINASE ACTIVATORS F. HOFFMANN-LA-ROCHE AG (CH) 2002-06-20 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 (1 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-20020082260-A1 Isoindolin-1-one glucokinase activators GCKR, GCK, PGK2 AAK1 125/4885REN 651/4885CTSS 2784/4885

“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.