SCHEMBL2718446

SCHEMBL2718446

Cc1ccc(C(=O)c2cccn2C/C=C/c2cccc(COCC(=O)O)c2)cc1

nearest known ligand 0.75

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.75
PPARA Q07869 7/20 0.75
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
EGLN1 Q9GZT9 1/20 0.34
TP53 P04637 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
SCHEMBL2718448 1.00 PPARG (0.75) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL6600223 0.89 PPARG (0.67) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL6600231 0.89 PPARG (0.67) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL4683389 0.88 PPARG (0.80) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL4683386 0.88 PPARG (0.80) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL13994497 0.87 PPARG (0.59) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL14143473 0.86 PPARG (0.68) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL2717561 0.86 PPARG (0.63) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL2721978 0.86 PPARG (0.63) PPARGPPARAALDH1A1MEN1LMNA
SCHEMBL2718630 0.86 PPARG (0.63) PPARGPPARAALDH1A1MEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1647546-B1 NOVEL HETEROARYL DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2012-05-02 EP disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE DANIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-12-11 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-7425642-B2 Heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. ,LTD. (JP) 2008-09-16 US disclosed
US-20060194857-A1 Novel heteroaryl derivative DAINIPPON SUMITOMO PHARMA CO. LTD. (JP) 2006-08-31 US disclosed
EP-1647546-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-04-19 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 (2 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-20060194857-A1 Novel heteroaryl derivative NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885ALDH1A1 552/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885ALDH1A1 552/4885

“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.