SCHEMBL2969591

SCHEMBL2969591

Cc1ccc(C(=O)c2nn(-c3ccc(COC(C)(C)C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 5/20 0.47
RORC P51449 2/20 0.47
SCN9A Q15858 3/20 0.43
SLC16A1 P53985 3/20 0.42
ELANE P08246 2/20 0.41
PPARG P37231 3/20 0.41
MAPT P10636 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GAA P10253 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38

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
SCHEMBL2971499 0.85 GCGR (0.38) SLC16A3SCN9ASLC16A1PPARGMAPT
SCHEMBL2966850 0.82 SLC16A3 (0.46) SLC16A3ELANEPPARGTP53MEN1
SCHEMBL2966853 0.82 SLC16A3 (0.46) SLC16A3ELANEPPARGTP53MEN1
SCHEMBL2978547 0.82 RORC (0.49) SLC16A3RORCPPARGMAPTTP53
SCHEMBL13042071 0.78 SLC16A3 (0.47) SLC16A3SLC16A1PPARGL3MBTL1MCTS1
SCHEMBL16797269 0.76 ALDH1A1 (0.58) RORCELANEMAPTTDP1L3MBTL1
SCHEMBL7056007 0.75 SLC16A3 (0.70) SLC16A3RORCSCN9ASLC16A1MCTS1
SCHEMBL2986308 0.74 SLC16A3 (0.50) SLC16A3PPARGTP53
SCHEMBL2986311 0.74 SLC16A3 (0.50) SLC16A3PPARGTP53
SCHEMBL2980502 0.74 SLC16A3 (0.46) SLC16A3SLC16A1ELANEPPARGMCTS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 US disclosed
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-7781479-B2 Heteroaryl derivatives DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2010-08-24 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
US-20080167306-A1 Novel Heteroaryl Derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-07-10 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
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 1787/4885RORC 1515/4885SCN9A 2090/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SLC16A3 1940/4885RORC 1977/4885SCN9A 2619/4885

“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.