SCHEMBL4107012

SCHEMBL4107012

COC(=O)C=C(N)CC(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA2 P00918 1/20 0.33
GFPT1 Q06210 1/20 0.33
TSHR P16473 1/20 0.32
PRKCA P17252 1/20 0.32
PDE4A P27815 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4C Q08493 1/20 0.31
PDE4D Q08499 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP9 P14780 1/20 0.31
MMP13 P45452 1/20 0.31
MIF P14174 1/20 0.30

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
SCHEMBL4107010 1.00 HCAR2 (0.37) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL14103261 0.80 NPSR1 (0.47) HCAR2ALDH1A1TDP1TSHRPRKCA
SCHEMBL5456398 0.79 NOS1 (0.34) ALDH1A1TDP1CA2PRKCA
SCHEMBL5456400 0.79 NOS1 (0.34) ALDH1A1TDP1CA2PRKCA
SCHEMBL31377686 0.78 ALDH1A1 (0.42) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL31377801 0.78 ALDH1A1 (0.42) ALDH1A1TDP1CA2SMN1; SMN2MMP1
SCHEMBL15482551 0.77 ALDH1A1 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL20878796 0.77 ALDH1A1 (0.42) HCAR2KEAP1NFE2L2ALDH1A1TDP1
SCHEMBL5458858 0.76 ALDH1A1 (0.40) ALDH1A1TDP1CA2MMP1MMP2
SCHEMBL831211 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-02 US disclosed
EP-1851202-A1 PYRIDYL ACETIC ACID COMPOUNDS Takeda Pharmaceutical Company Limited (JP) 2007-11-07 EP disclosed
WO-2006090915-A1 PYRIDYL ACETIC ACID COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-08-31 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-20090088419-A1 PYRIDYL ACETIC ACID COMPOUNDS DPP4, GPR119, DPP3 HCAR2 36/4885KEAP1 2430/4885NFE2L2 2912/4885

“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.