SCHEMBL8515261

SCHEMBL8515261

CC(C)CC(C(=O)O)n1ccc(Oc2ccccc2-c2ccccc2)cc1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.40
PTGS2 P35354 1/20 0.40
BRD4 O60885 3/20 0.39
KMT2A Q03164 1/20 0.39
BCL2 P10415 2/20 0.38
BCL2L2 Q92843 2/20 0.38
CTSK P43235 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CASP1 P29466 1/20 0.37
CASP3 P42574 1/20 0.37
CASP7 P55210 1/20 0.37
CASP6 P55212 1/20 0.37
CASP8 Q14790 1/20 0.37
MAPT P10636 2/20 0.37
FFAR1 O14842 1/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL8514582 0.86 MCL1 (0.41) MCL1PTGS2KMT2ABCL2BCL2L2
SCHEMBL8515253 0.86 KMT2A (0.51) MCL1BRD4KMT2ABCL2BCL2L2
SCHEMBL8515249 0.85 LPAR1 (0.41) MCL1PTGS2KMT2ABCL2BCL2L2
SCHEMBL8512988 0.85 MCL1 (0.41) MCL1KMT2ABCL2BCL2L2FFAR1
SCHEMBL8515246 0.85 MCL1 (0.41) MCL1PTGS2KMT2ABCL2BCL2L2
SCHEMBL8514936 0.85 MCL1 (0.53) MCL1KMT2ABCL2BCL2L2SMN1; SMN2
SCHEMBL8513005 0.83 BCL2L1 (0.42) MCL1KMT2ATDP1LMNABCL2L1
SCHEMBL959088 0.83 GCK (0.46) BRD4TDP1LMNAALDH1A1
SCHEMBL8516017 0.83 PPARG (0.40) MCL1PTGS2KMT2ABCL2BCL2L2
SCHEMBL8516044 0.83 HIF1A (0.42) MCL1PTGS2KMT2ABCL2BCL2L2

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-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP claimed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US claimed
EP-2456767-B1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN LA ROCHE (CH) 2014-03-12 EP disclosed
US-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
EP-2456767-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP 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-20130131113-A1 PYRIDONE GLUCOKINASE ACTIVATORS GCK, PDXK, G6PD MCL1 4634/4885PTGS2 978/4885BRD4 2857/4885

“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.