SCHEMBL1068231

SCHEMBL1068231

COC(=O)[C@H](CC(C)C)N1CC(Oc2c(F)cccc2F)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
THRB P10828 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL2702968 1.00 LMNA (0.34) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1066432 0.89 MME (0.35) LMNASMN1; SMN2MEN1KMT2ATHRB
SCHEMBL1064277 0.89 L3MBTL1 (0.34) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL1066433 0.89 MME (0.35) LMNASMN1; SMN2MEN1KMT2ATHRB
SCHEMBL2702414 0.89 L3MBTL1 (0.34) LMNAALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL2700898 0.88 MAPT (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL1065767 0.88 MAPT (0.38) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL2701707 0.88 TAS1R3 (0.35) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1069113 0.88 TAS1R3 (0.35) LMNAALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL1067329 0.87 NPC1 (0.33) LMNAALDH1A1SMN1; SMN2NPC1RAB9A

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 LMNA 3936/4885ALDH1A1 1129/4885SMN1; SMN2 2392/4885

“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.