SCHEMBL1068377

SCHEMBL1068377

COC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(Cl)c2Cl)=CC1=O

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.37
PRMT6 Q96LA8 1/20 0.37
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
P2RX7 Q99572 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR1D P28221 2/20 0.33
MC4R P32245 1/20 0.33
LMNA P02545 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
SCHEMBL2700983 1.00 CARM1 (0.37) CARM1PRMT6MAPTALDH1A1SMN1; SMN2
SCHEMBL1068248 0.92 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL2700614 0.92 ALDH1A1 (0.36) MAPTALDH1A1SMN1; SMN2P2RX7NPSR1
SCHEMBL2700658 0.92 NPSR1 (0.38) MAPTALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL1064483 0.92 NPSR1 (0.38) MAPTALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL1064245 0.90 NPC1 (0.35) MAPTALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL1064249 0.90 NPC1 (0.35) MAPTALDH1A1SMN1; SMN2NOS3NOS1
SCHEMBL1064282 0.90 CARM1 (0.36) CARM1PRMT6MAPTALDH1A1P2RX7
SCHEMBL1066409 0.90 CARM1 (0.36) CARM1PRMT6MAPTALDH1A1P2RX7
SCHEMBL1069541 0.89 ALDH1A1 (0.40) MAPTALDH1A1KDM4ENPC1KMT2A

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 CARM1 1716/4885PRMT6 551/4885MAPT 4151/4885

“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.