SCHEMBL5857532

SCHEMBL5857532

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

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
PPARA Q07869 7/20 0.40
PPARG P37231 3/20 0.40
ATM Q13315 2/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.35
ALDH1A1 P00352 2/20 0.34
RECQL P46063 1/20 0.34
TSHR P16473 1/20 0.33
PLK1 P53350 1/20 0.33
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL5855749 0.93 THRB (0.42) THRBPKMPPARAPPARGATM
SCHEMBL5967772 0.92 HTT (0.43) THRBPKMPPARAPPARGATM
SCHEMBL5855382 0.91 THRB (0.40) THRBPKMPPARAATMHTT
SCHEMBL5858562 0.91 THRB (0.40) THRBPKMPPARAATMHTT
SCHEMBL5856497 0.91 THRB (0.40) THRBPKMPPARAPPARGATM
SCHEMBL5967803 0.91 ATM (0.48) THRBPKMPPARAPPARGATM
SCHEMBL5857044 0.90 PPARA (0.42) THRBPKMPPARAPPARGATM
SCHEMBL5855716 0.90 ATM (0.47) THRBPKMPPARAPPARGATM
SCHEMBL5858134 0.88 ATM (0.48) THRBPKMPPARAPPARGATM
SCHEMBL5856689 0.86 PPARA (0.40) THRBPKMPPARAPPARGATM

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-20050009785-A1 Heterocyclic compounds KUWABARA KENJI (JP) 2005-01-13 US disclosed
US-20050009892-A1 Heterocyclic compounds NIPPON SHINYAKU CO., LTD. (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 THRB 1051/4885PKM 2799/4885PPARA 464/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE THRB 1589/4885PKM 3109/4885PPARA 579/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885PPARA 660/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885PPARA 660/4885

“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.