SCHEMBL1068355

SCHEMBL1068355

CCOC(=O)C=C(CBr)Oc1ccccc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.39
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
LMNA P02545 3/20 0.36
POLB P06746 2/20 0.36
PKM P14618 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.35
PLIN1 O60240 1/20 0.35
PLIN5 Q00G26 1/20 0.35
KMT2A Q03164 1/20 0.35
ABHD5 Q8WTS1 1/20 0.35

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
SCHEMBL1068354 1.00 FAAH (0.39) FAAHSMN1; SMN2ALDH1A1RAB9ANPC1
SCHEMBL1068771 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1068773 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1068772 0.90 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1067440 0.87 MAPT (0.38) ALDH1A1RAB9ACYP1A2CYP2C19MAPT
SCHEMBL1067370 0.87 TSHR (0.42) FAAHALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1067438 0.87 MAPT (0.38) ALDH1A1RAB9ACYP1A2CYP2C19MAPT
SCHEMBL1067369 0.87 TSHR (0.42) FAAHALDH1A1RAB9ANPC1CYP1A2
SCHEMBL1067937 0.86 TDP1 (0.42) SMN1; SMN2ALDH1A1RAB9AL3MBTL1MAPT
SCHEMBL1067938 0.86 TDP1 (0.42) SMN1; SMN2ALDH1A1RAB9AL3MBTL1MAPT

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 FAAH 4624/4885SMN1; SMN2 2392/4885ALDH1A1 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.