SCHEMBL1066758

SCHEMBL1066758

COC(=O)C=C(CBr)Oc1c(F)cccc1F

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MEP1B Q16820 1/20 0.34
KRAS P01116 2/20 0.33
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
BDKRB1 P46663 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MRGPRX4 Q96LA9 1/20 0.32

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
SCHEMBL1066755 1.00 KMT2A (0.46) KMT2ASMN1; SMN2ALDH1A1MEP1BKRAS
SCHEMBL1063932 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1066688 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1066687 0.86 SMN1; SMN2 (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EPOLB
SCHEMBL1068009 0.79 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EMEN1POLB
SCHEMBL1068007 0.79 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EMEN1POLB
SCHEMBL1068011 0.79 KMT2A (0.40) KMT2ASMN1; SMN2KDM4EMEN1POLB
SCHEMBL1068750 0.78 MAPT (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1068755 0.78 MAPT (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL1068752 0.78 MAPT (0.40) KMT2ASMN1; SMN2ALDH1A1KDM4EMEN1

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 KMT2A 2072/4885SMN1; 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.