SCHEMBL2986308

SCHEMBL2986308

Cc1ccc(C(=O)c2nn(Cc3ccc(/C=C/COC(C)(C)C(=O)O)cc3)c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC16A3 O15427 2/20 0.50
PTGER4 P35408 8/20 0.43
PPARG P37231 6/20 0.41
PPARA Q07869 6/20 0.41
F2RL3 Q96RI0 1/20 0.40
TP53 P04637 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NCOR2 Q9Y618 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
SCHEMBL2986311 1.00 SLC16A3 (0.50) SLC16A3PTGER4PPARGPPARAF2RL3
SCHEMBL2969245 0.87 GCGR (0.43) SLC16A3PTGER4PPARGPPARAHDAC3
SCHEMBL2969239 0.87 GCGR (0.43) SLC16A3PTGER4PPARGPPARAHDAC3
SCHEMBL2966850 0.86 SLC16A3 (0.46) SLC16A3PTGER4PPARGPPARATP53
SCHEMBL2966853 0.86 SLC16A3 (0.46) SLC16A3PTGER4PPARGPPARATP53
SCHEMBL13042069 0.85 SLC16A3 (0.49) SLC16A3PTGER4PPARGPPARAF2RL3
SCHEMBL2977500 0.84 PTGER4 (0.43) SLC16A3PTGER4F2RL3TP53HDAC3
SCHEMBL2977499 0.84 PTGER4 (0.43) SLC16A3PTGER4F2RL3TP53HDAC3
SCHEMBL2983619 0.83 HDAC1 (0.43) SLC16A3PPARGPPARATP53HDAC3
SCHEMBL2983618 0.83 HDAC1 (0.43) SLC16A3PPARGPPARATP53HDAC3

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 1787/4885PTGER4 2390/4885PPARG 430/4885
US-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 SLC16A3 1940/4885PTGER4 2746/4885PPARG 498/4885

“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.