SCHEMBL1067166

SCHEMBL1067166

CCOC(=O)C=C(C)Oc1c(F)cccc1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NLRP3 Q96P20 1/20 0.40
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KMT2A Q03164 5/20 0.38
MAPT P10636 4/20 0.38
POLB P06746 1/20 0.38
PKM P14618 1/20 0.38
GALK1 P51570 1/20 0.38
CCR6 P51684 1/20 0.38
BLM P54132 1/20 0.38
MCL1 Q07820 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 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
SCHEMBL1067165 1.00 SMN1; SMN2 (0.43) SMN1; SMN2NLRP3KDM4EALDH1A1RAB9A
SCHEMBL1068110 0.90 L3MBTL1 (0.42) SMN1; SMN2NLRP3KDM4EALDH1A1KMT2A
SCHEMBL1068113 0.90 L3MBTL1 (0.42) SMN1; SMN2NLRP3KDM4EALDH1A1KMT2A
SCHEMBL1068112 0.90 L3MBTL1 (0.42) SMN1; SMN2NLRP3KDM4EALDH1A1KMT2A
SCHEMBL1069105 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3KDM4EALDH1A1RAB9A
SCHEMBL1069102 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3KDM4EALDH1A1RAB9A
SCHEMBL1069104 0.84 SMN1; SMN2 (0.40) SMN1; SMN2NLRP3KDM4EALDH1A1RAB9A
SCHEMBL1065376 0.84 KMT2A (0.41) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL1065377 0.84 KMT2A (0.41) SMN1; SMN2KDM4EALDH1A1RAB9ANPC1
SCHEMBL1068460 0.82 MAPT (0.35) SMN1; SMN2KDM4EALDH1A1RAB9ANPSR1

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 4163/4885KDM4E 1156/4885

“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.