SCHEMBL1068772

SCHEMBL1068772

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.38
NLRP3 Q96P20 1/20 0.36
ALDH1A1 P00352 5/20 0.34
MAPT P10636 5/20 0.34
CYP1A2 P05177 3/20 0.34
KDM4E B2RXH2 3/20 0.34
RAB9A P51151 3/20 0.34
NPC1 O15118 2/20 0.34
CYP2C19 P33261 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HSD17B10 Q99714 2/20 0.33
GRM2 Q14416 2/20 0.33
HPGD P15428 2/20 0.33
MDM2 Q00987 1/20 0.33
MEN1 O00255 1/20 0.33
CYP2C9 P11712 1/20 0.33
KMT2A Q03164 1/20 0.33
GLA P06280 1/20 0.33

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
SCHEMBL1068771 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3ALDH1A1MAPTCYP1A2
SCHEMBL1068773 1.00 SMN1; SMN2 (0.38) SMN1; SMN2NLRP3ALDH1A1MAPTCYP1A2
SCHEMBL1068160 0.90 CYP1A2 (0.34) SMN1; SMN2NLRP3ALDH1A1MAPTCYP1A2
SCHEMBL1069036 0.90 CYP1A2 (0.34) SMN1; SMN2NLRP3ALDH1A1MAPTCYP1A2
SCHEMBL1069040 0.90 CYP1A2 (0.34) SMN1; SMN2NLRP3ALDH1A1MAPTCYP1A2
SCHEMBL1067242 0.90 NPSR1 (0.35) SMN1; SMN2ALDH1A1MAPTCYP1A2CYP2C19
SCHEMBL1068354 0.90 FAAH (0.39) SMN1; SMN2ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL1068355 0.90 FAAH (0.39) SMN1; SMN2ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL1069322 0.89 MAPT (0.34) SMN1; SMN2ALDH1A1MAPTCYP1A2KDM4E
SCHEMBL1069323 0.89 MAPT (0.34) SMN1; SMN2ALDH1A1MAPTCYP1A2KDM4E

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 SMN1; SMN2 2392/4885NLRP3 4163/4885ALDH1A1 1129/4885

“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.