SCHEMBL2983405

SCHEMBL2983405

Cc1ccc(C(=O)c2nc3c(n2CC=Cc2ccc(COC(C)(C)C(=O)O)cc2)CCCC3)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.70
PPARA Q07869 6/20 0.70
KDM4E B2RXH2 5/20 0.47
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 3/20 0.38
LMNA P02545 3/20 0.38
GAA P10253 1/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ANXA2 P07355 1/20 0.33
S100A10 P60903 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
SCHEMBL2983401 1.00 PPARG (0.70) PPARGPPARAKDM4EALDH1A1ALOX12
SCHEMBL10151393 0.94 PPARG (0.64) PPARGPPARAKDM4EALDH1A1ALOX12
SCHEMBL2974866 0.85 PPARG (0.59) PPARGPPARAKDM4EALDH1A1ALOX12
SCHEMBL2974870 0.85 PPARG (0.59) PPARGPPARAKDM4EALDH1A1ALOX12
SCHEMBL10151400 0.83 PPARG (0.69) PPARGPPARAKDM4EALDH1A1MAPT
SCHEMBL10151761 0.79 PPARG (0.48) PPARGPPARAALDH1A1MAPT
SCHEMBL10151398 0.78 PPARG (0.47) PPARGPPARA
SCHEMBL13994559 0.78 PPARG (0.67) PPARGPPARARAB9ASMN1; SMN2
SCHEMBL2977102 0.77 PPARG (0.51) PPARGPPARAKDM4EALDH1A1ALOX12
SCHEMBL2977109 0.77 PPARG (0.51) PPARGPPARAKDM4EALDH1A1ALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 US disclosed
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 US disclosed
EP-1837329-A1 NOVEL HETEROARYL DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2007-09-26 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 PPARG 430/4885PPARA 489/4885KDM4E 1146/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 PPARG 498/4885PPARA 561/4885KDM4E 880/4885

“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.