SCHEMBL2656871

SCHEMBL2656871

CC(C)CC(C(=O)O)N1CC(Oc2ccccc2Br)=CC1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MME P08473 2/20 0.38
MCL1 Q07820 4/20 0.36
THRB P10828 1/20 0.36
POLB P06746 1/20 0.35
BCL2 P10415 2/20 0.34
BCL2L2 Q92843 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
ANPEP P15144 1/20 0.33
ACE P12821 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 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
SCHEMBL1067056 1.00 MME (0.38) MMEMCL1THRBPOLBBCL2
SCHEMBL1069033 0.89 MCL1 (0.34) MMEMCL1THRBPOLBBCL2
SCHEMBL2655673 0.89 MCL1 (0.34) MMEMCL1THRBPOLBBCL2
SCHEMBL2700761 0.89 NPC1 (0.36) THRBPOLBLMNASMN1; SMN2ANPEP
SCHEMBL1068277 0.89 NPC1 (0.36) THRBPOLBLMNASMN1; SMN2ANPEP
SCHEMBL1064772 0.88 BCL2 (0.37) MMEMCL1THRBPOLBBCL2
SCHEMBL1064773 0.88 BCL2 (0.37) MMEMCL1THRBPOLBBCL2
SCHEMBL1069348 0.87 CXCL8 (0.40) MMEMCL1THRBBCL2BCL2L2
SCHEMBL1066976 0.87 CXCL8 (0.40) MMEMCL1THRBPOLBBCL2
SCHEMBL2659036 0.87 CXCL8 (0.40) MMEMCL1THRBPOLBBCL2

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 7 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 claimed
US-7741327-B2 Pyrrolidinone glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2010-06-22 US claimed
US-20090264445-A1 PYRROLIDINONE GLUCOKINASE ACTIVATORS BERTHEL STEVEN JOSEPH 2009-10-22 US claimed
EP-2274297-B1 PYRROLIDINONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2012-05-09 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 MME 3517/4885MCL1 4615/4885THRB 2338/4885

“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.