SCHEMBL8516208

SCHEMBL8516208

Cc1c(Cl)cccc1Oc1ccn(C(CC(C)C)C(=O)O)c(=O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 5/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
FFAR1 O14842 2/20 0.38
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GCK P35557 1/20 0.34
P2RX3 P56373 1/20 0.34
BCL2 P10415 2/20 0.33
BCL2L2 Q92843 2/20 0.33
FABP3 P05413 1/20 0.33
FABP4 P15090 1/20 0.33
FABP5 Q01469 1/20 0.33
PTGS2 P35354 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
SCHEMBL8512988 0.90 MCL1 (0.41) MCL1FFAR1KMT2ABCL2BCL2L2
SCHEMBL8514582 0.84 MCL1 (0.41) MCL1FFAR1KMT2AGCKBCL2
SCHEMBL955452 0.83 GCK (0.43) SMN1; SMN2GCK
SCHEMBL8515253 0.82 KMT2A (0.51) MCL1KMT2ABCL2BCL2L2
SCHEMBL935524 0.82 HIF1A (0.40) MCL1KMT2ASMN1; SMN2TDP1BCL2
SCHEMBL8513005 0.82 BCL2L1 (0.42) MCL1KMT2ATDP1
SCHEMBL8515249 0.81 LPAR1 (0.41) MCL1KMT2AGCKBCL2BCL2L2
SCHEMBL8515246 0.81 MCL1 (0.41) MCL1KMT2ABCL2BCL2L2PTGS2
SCHEMBL8516017 0.81 PPARG (0.40) MCL1MRGPRX4FFAR1KMT2ABCL2
SCHEMBL8516044 0.81 HIF1A (0.42) MCL1FFAR1KMT2ABCL2BCL2L2

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 8 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-A1 PYRIDONE GLUCOKINASE ACTIVATORS F. Hoffmann-La Roche AG (CH) 2012-05-30 EP claimed
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN 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
CN-102471322-A Pyridone glucokinase activators HOFFMANN LA ROCHE 2012-05-23 CN 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 4634/4885MRGPRX4 3794/4885FFAR1 2014/4885

“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.