SCHEMBL1067503

SCHEMBL1067503

CCOC(=O)C=C(C)Oc1ccc(F)c(F)c1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.38
HCAR2 Q8TDS4 1/20 0.35
CYP1A2 P05177 2/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
MAPT P10636 7/20 0.34
KMT2A Q03164 3/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
GALK1 P51570 1/20 0.34
CCR6 P51684 1/20 0.34
BLM P54132 1/20 0.34
MCL1 Q07820 1/20 0.34
HKDC1 Q2TB90 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
SCHEMBL1069105 0.89 SMN1; SMN2 (0.40) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1069102 0.89 SMN1; SMN2 (0.40) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1069104 0.89 SMN1; SMN2 (0.40) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1063770 0.84 CYP1A2 (0.37) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1063772 0.84 CYP1A2 (0.37) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1063774 0.84 CYP1A2 (0.37) NPSR1CYP1A2CA12CA1CA2
SCHEMBL1066851 0.83 CYP4F2 (0.41) NPSR1CYP1A2MAPTKMT2AKDM4E
SCHEMBL1066854 0.83 CYP4F2 (0.41) NPSR1CYP1A2MAPTKMT2AKDM4E
SCHEMBL1068513 0.83 CYP4F2 (0.41) NPSR1CYP1A2MAPTKMT2AKDM4E
SCHEMBL1068515 0.83 CYP4F2 (0.41) NPSR1CYP1A2MAPTKMT2AKDM4E

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-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 EP 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-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

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-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS GCKR, GCK, PDK2 NPSR1 3628/4885HCAR2 3118/4885CYP1A2 1710/4885

“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.