SCHEMBL2972040

SCHEMBL2972040

Cc1ccc(C(=O)c2nn(CC=Cc3ccc(CO[C@H](C)C(=O)O)cc3)c3ccc(OC(F)(F)F)cc23)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.40
PPARA Q07869 7/20 0.40
CYP2C9 P11712 2/20 0.40
PTGER4 P35408 2/20 0.40
EGFR P00533 1/20 0.40
CHRM4 P08173 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
ALOX5 P09917 1/20 0.40
ADRB3 P13945 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
CHRM3 P20309 1/20 0.40
TACR2 P21452 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL2972036 1.00 PPARG (0.40) PPARGPPARACYP2C9PTGER4EGFR
SCHEMBL14409114 0.93 ELANE (0.38) PPARGPPARACYP2C9PTGER4EGFR
SCHEMBL2984466 0.85 PPARG (0.49) PPARGPPARACYP2C9PTGER4EGFR
SCHEMBL2984470 0.85 PPARG (0.49) PPARGPPARACYP2C9PTGER4EGFR
SCHEMBL2982121 0.85 PPARG (0.37) PPARGPPARACYP2C9PTGER4ELANE
SCHEMBL2982119 0.85 PPARG (0.37) PPARGPPARACYP2C9PTGER4ELANE
SCHEMBL2973728 0.85 GCGR (0.37) PPARGPTGER4
SCHEMBL2973735 0.85 GCGR (0.37) PPARGPTGER4
SCHEMBL13042047 0.83 PPARG (0.32) PPARGPPARA
SCHEMBL2971913 0.80 ELANE (0.36) PPARGPPARACYP2C9PTGER4ELANE

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 489/4885CYP2C9 296/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 PPARG 498/4885PPARA 561/4885CYP2C9 352/4885

“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.