SCHEMBL1069040

SCHEMBL1069040

CCOC(=O)/C=C(/CBr)Oc1cccc(C)c1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.34
MAPT P10636 4/20 0.33
NPSR1 Q6W5P4 3/20 0.33
RAB9A P51151 3/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NPC1 O15118 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL1068160 1.00 CYP1A2 (0.34) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1069036 1.00 CYP1A2 (0.34) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1068771 0.90 SMN1; SMN2 (0.38) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1068772 0.90 SMN1; SMN2 (0.38) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1068773 0.90 SMN1; SMN2 (0.38) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1069322 0.89 MAPT (0.34) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1067380 0.89 GLA (0.35) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1067374 0.89 GLA (0.35) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1069323 0.89 MAPT (0.34) CYP1A2MAPTNPSR1RAB9ALMNA
SCHEMBL1067378 0.89 GLA (0.35) CYP1A2MAPTNPSR1RAB9ALMNA

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 CYP1A2 1710/4885MAPT 4151/4885NPSR1 3628/4885

“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.