SCHEMBL2669219

SCHEMBL2669219

COC(=O)c1ccccc1NC(=O)NC(CC(C)C)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.62
ALDH1A1 P00352 4/20 0.62
HPGD P15428 2/20 0.62
GAA P10253 2/20 0.59
ANPEP P15144 5/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
MAPK1 P28482 1/20 0.55
TSHR P16473 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
KMT2A Q03164 1/20 0.54
FPR2 P25090 3/20 0.52

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
SCHEMBL10364634 1.00 KDM4E (0.62) KDM4EALDH1A1HPGDGAAANPEP
SCHEMBL10964506 0.90 KDM4E (0.70) KDM4EALDH1A1HPGDGAAANPEP
SCHEMBL10964500 0.90 KDM4E (0.70) KDM4EALDH1A1HPGDGAAANPEP
Gamma-Aminobutyric Acid SCHEMBL10362615 0.89 KDM4E (0.51) KDM4EALDH1A1HPGDGAAANPEP
SCHEMBL10362609 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL10362607 0.85 ALDH1A1 (0.62) KDM4EALDH1A1HPGDGAAKMT2A
SCHEMBL10363008 0.81 KDM4E (0.57) KDM4EALDH1A1HPGDGAAANPEP
SCHEMBL10362881 0.81 KDM4E (0.76) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL10362896 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGAASMN1; SMN2
SCHEMBL10362895 0.80 KDM4E (0.67) KDM4EALDH1A1HPGDGAASMN1; SMN2

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
US-8034822-B2 Glucokinase activators TAKEDA SAN DIEGO, INC. (US) 2011-10-11 US disclosed
WO-2007104034-A2 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. (US) 2007-09-13 WO disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
US-20070213349-A1 GLUCOKINASE ACTIVATORS TAKEDA SAN DIEGO, INC. 2007-09-13 US disclosed
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 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-20070213349-A1 GLUCOKINASE ACTIVATORS GCK, GCKR, GALK1 KDM4E 2361/4885ALDH1A1 1149/4885HPGD 937/4885

“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.