SCHEMBL2980508

SCHEMBL2980508

CCc1ccc(C(=O)c2nn(CC=Cc3ccc(COC(C)(C)C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 4/20 0.46
PPARG P37231 6/20 0.38
PPARA Q07869 5/20 0.38
PTGER4 P35408 6/20 0.36
GHSR Q92847 1/20 0.35
MCTS1 Q9ULC4 2/20 0.35
F2RL3 Q96RI0 1/20 0.34
SLC16A1 P53985 1/20 0.34
ELANE P08246 1/20 0.34

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
SCHEMBL2980502 1.00 SLC16A3 (0.46) SLC16A3PPARGPPARAPTGER4GHSR
SCHEMBL2966850 0.93 SLC16A3 (0.46) SLC16A3PPARGPPARAPTGER4GHSR
SCHEMBL2966853 0.93 SLC16A3 (0.46) SLC16A3PPARGPPARAPTGER4GHSR
SCHEMBL2981028 0.92 SLC16A3 (0.47) SLC16A3PPARGPPARAPTGER4MCTS1
SCHEMBL2981026 0.92 SLC16A3 (0.47) SLC16A3PPARGPPARAPTGER4MCTS1
SCHEMBL2971913 0.84 ELANE (0.36) PPARGPPARAPTGER4GHSRF2RL3
SCHEMBL2971906 0.84 ELANE (0.36) PPARGPPARAPTGER4GHSRF2RL3
SCHEMBL2986308 0.79 SLC16A3 (0.50) SLC16A3PPARGPPARAPTGER4F2RL3
SCHEMBL2986311 0.79 SLC16A3 (0.50) SLC16A3PPARGPPARAPTGER4F2RL3
SCHEMBL2982121 0.78 PPARG (0.37) PPARGPPARAPTGER4ELANE

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 SLC16A3 1787/4885PPARG 430/4885PPARA 489/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SLC16A3 1940/4885PPARG 498/4885PPARA 561/4885

“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.