SCHEMBL5857044

SCHEMBL5857044

CCOC(=O)C(CCCC[C@H]1CO[C@@](C)(C(=O)OCC)OC1)(NC(=O)c1ccc(C(F)(F)F)cc1)C(=O)OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.42
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 2/20 0.39
HTT P42858 2/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TSHR P16473 2/20 0.36
PPARG P37231 2/20 0.35
EPHX2 P34913 1/20 0.34
MAPK1 P28482 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NAAA Q02083 1/20 0.33
CNR2 P34972 1/20 0.33

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
SCHEMBL5858562 0.92 THRB (0.40) PPARATHRBPKMATMHTT
SCHEMBL5856497 0.92 THRB (0.40) PPARATHRBPKMATMHTT
SCHEMBL5855749 0.92 THRB (0.42) PPARATHRBPKMATMHTT
SCHEMBL5967772 0.91 HTT (0.43) PPARATHRBPKMATMHTT
SCHEMBL5855382 0.90 THRB (0.40) PPARATHRBPKMATMHTT
SCHEMBL5857532 0.90 THRB (0.40) PPARATHRBPKMATMHTT
SCHEMBL5967803 0.90 ATM (0.48) PPARATHRBPKMATMHTT
SCHEMBL5855716 0.89 ATM (0.47) PPARATHRBPKMATMHTT
SCHEMBL5858134 0.87 ATM (0.48) PPARATHRBPKMATMHTT
SCHEMBL5856689 0.87 PPARA (0.40) PPARATHRBPKMATMHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7144906-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-12-05 US disclosed
US-7030143-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-18 US disclosed
US-7022723-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-04-04 US disclosed
EP-1634876-A2 Heterocyclic compounds for the treatment of hyperlipidemia agents Nippon Shinyaku Co., Ltd. (JP) 2006-03-15 EP disclosed
US-6998412-B2 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2006-02-14 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2005-01-13 US disclosed
US-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20040162325-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2004-08-19 US disclosed
US-20030166697-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (JP) 2003-09-04 US disclosed
EP-1295875-A1 HETEROCYCLIC COMPOUNDS Nippon Shinyaku Co., Ltd. (JP) 2003-03-26 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 (4 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-20050009785-A1 Heterocyclic compounds LIPC, GPR119, APOB PPARA 464/4885THRB 1051/4885PKM 2799/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE PPARA 579/4885THRB 1589/4885PKM 3109/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885THRB 1161/4885PKM 3595/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC PPARA 660/4885THRB 1161/4885PKM 3595/4885

“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.