SCHEMBL2720809

SCHEMBL2720809

Cc1ccc(C(=O)c2cccn2CC=Cc2ccc(C(=O)O)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 4/20 0.64
PPARA Q07869 4/20 0.64
TBXAS1 P24557 2/20 0.46
SRD5A2 P31213 2/20 0.45
ALDH1A1 P00352 4/20 0.44
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
ALOX12 P18054 1/20 0.44
RECQL P46063 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.41
CYP1B1 Q16678 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL2720808 1.00 PPARG (0.64) PPARGPPARATBXAS1SRD5A2ALDH1A1
SCHEMBL10151410 0.89 PPARG (0.55) PPARGPPARATBXAS1ALDH1A1MAPT
SCHEMBL14143449 0.89 PPARG (0.60) PPARGPPARATBXAS1ALDH1A1MAPT
SCHEMBL4680583 0.89 PPARG (0.63) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL4680580 0.89 PPARG (0.63) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL2716859 0.89 PPARG (0.71) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL2716856 0.89 PPARG (0.71) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL2719672 0.88 PPARG (0.59) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL2719676 0.88 PPARG (0.59) PPARGPPARASRD5A2ALDH1A1MAPT
SCHEMBL2719648 0.87 PPARG (0.58) PPARGPPARASRD5A2ALDH1A1MAPT

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-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-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 411/4885TBXAS1 2126/4885
US-20080306275-A1 NOVEL HETEROARYL DERIVATIVE NR0B1, UGT1A10, NR0B2 PPARG 282/4885PPARA 411/4885TBXAS1 2126/4885

“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.