SCHEMBL5855382

SCHEMBL5855382

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
PKM P14618 1/20 0.40
ATM Q13315 2/20 0.40
HTT P42858 1/20 0.40
PPARA Q07869 3/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ABCB11 O95342 2/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
ADAMTS4 O75173 1/20 0.35
ADAMTS5 Q9UNA0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 2/20 0.33
EPHX2 P34913 1/20 0.33
CYP1A2 P05177 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
SCHEMBL5855749 0.93 THRB (0.42) THRBPKMATMHTTPPARA
SCHEMBL5967772 0.92 HTT (0.43) THRBPKMATMHTTPPARA
SCHEMBL5857532 0.91 THRB (0.40) THRBPKMATMHTTPPARA
SCHEMBL5858562 0.91 THRB (0.40) THRBPKMATMHTTPPARA
SCHEMBL5856497 0.91 THRB (0.40) THRBPKMATMHTTPPARA
SCHEMBL5967803 0.91 ATM (0.48) THRBPKMATMHTTPPARA
SCHEMBL5857044 0.90 PPARA (0.42) THRBPKMATMHTTPPARA
SCHEMBL5855716 0.90 ATM (0.47) THRBPKMATMHTTPPARA
SCHEMBL5858134 0.88 ATM (0.48) THRBPKMATMHTTPPARA
SCHEMBL5856689 0.86 PPARA (0.40) THRBPKMATMHTTPPARA

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 7 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
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-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 (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-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885ATM 3681/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885ATM 3681/4885

“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.