SCHEMBL1066802

SCHEMBL1066802

COC(=O)[C@H](CC(C)C)N1CC(Oc2cccc(O)c2F)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 2/20 0.32
CHRM3 P20309 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30
CA14 Q9ULX7 1/20 0.30
FOLH1 Q04609 1/20 0.30

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
SCHEMBL2700787 1.00 ALDH1A1 (0.34) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL2700348 0.91 GNRHR (0.35) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL1066291 0.91 GNRHR (0.35) ALDH1A1MAPTLMNASMN1; SMN2NPSR1
SCHEMBL1067670 0.90 CHRM3 (0.34) ALDH1A1MAPTLMNACHRM3
SCHEMBL1068375 0.90 CHRM3 (0.34) ALDH1A1MAPTLMNACHRM3
SCHEMBL1064249 0.89 NPC1 (0.35) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL1064245 0.89 NPC1 (0.35) ALDH1A1NPC1RAB9AMAPTLMNA
SCHEMBL2700626 0.88 ALDH1A1 (0.40) ALDH1A1NPC1LMNA
SCHEMBL1067744 0.88 ALDH1A1 (0.40) ALDH1A1NPC1LMNA
SCHEMBL2700898 0.87 MAPT (0.38) ALDH1A1NPC1RAB9AMAPT

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 ALDH1A1 1129/4885NPC1 3656/4885RAB9A 2842/4885

“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.