SCHEMBL13205914

SCHEMBL13205914

CC(C)(OCc1ccc(Cn2ccc(C(=O)c3ccc(C(F)(F)F)cc3)n2)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ PPARD Q03181 4/20 0.41
▸ PPARA Q07869 4/20 0.41
▸ SLC16A3 O15427 5/20 0.41
▸ SLC16A1 P53985 2/20 0.41
▸ MCTS1 Q9ULC4 2/20 0.41
▸ LDHB P07195 1/20 0.40
▸ SRD5A2 P31213 1/20 0.39
▸ P2RY14 Q15391 1/20 0.39
▸ MAOB P27338 1/20 0.39
▸ PTGDR2 Q9Y5Y4 2/20 0.39
▸ LPAR5 Q9H1C0 2/20 0.39
▸ PPARG P37231 1/20 0.37
▸ TGM2 P21980 1/20 0.37

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
SCHEMBL13042083 0.79 SRD5A2 (0.43) PPARDPPARASLC16A3SLC16A1MCTS1
SCHEMBL8935846 0.78 PPARA (0.50) PPARDPPARASRD5A2MAOBPPARG
SCHEMBL24208446 0.76 HDAC1 (0.53) HDAC1HDAC7LDHBSRD5A2P2RY14
SCHEMBL2966998 0.70 PTGDR2 (0.36) PPARASRD5A2P2RY14MAOBPTGDR2
SCHEMBL2982666 0.69 SRD5A2 (0.42) SRD5A2TGM2
SCHEMBL2971499 0.69 GCGR (0.38) HDAC1HDAC7PPARDPPARASLC16A3
SCHEMBL3440032 0.65 L3MBTL1 (0.53) HDAC1HDAC7LDHBMAOBTGM2
SCHEMBL3440003 0.65 LDHB (0.57) HDAC1HDAC7LDHB
SCHEMBL8935661 0.65 SLC16A3 (0.46) PPARASLC16A3SLC16A1MCTS1MAOB
SCHEMBL2820265 0.65 PPARA (0.53) PPARDPPARAPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (1 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-20080167306-A1 Novel Heteroaryl Derivative GPR119, SLC2A4, SLC5A2 HDAC1 147/4885HDAC7 952/4885PPARD 761/4885

“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.

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