SCHEMBL5856093

SCHEMBL5856093

CCOC(=O)C(C)(C)OCCCCCCC(NC(=O)c1ccc(F)cc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
KMT2A Q03164 3/20 0.44
THRB P10828 1/20 0.44
PKM P14618 1/20 0.44
MAPT P10636 6/20 0.43
ATM Q13315 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
MAPK1 P28482 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
CASP3 P42574 1/20 0.37
TRPV1 Q8NER1 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
HDAC3 O15379 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
SCHEMBL5857271 0.91 HTT (0.48) HTTKMT2ATHRBPKMMAPT
SCHEMBL5858434 0.90 HTT (0.47) HTTKMT2ATHRBPKMMAPT
SCHEMBL5855632 0.89 ABCB11 (0.46) HTTKMT2ATHRBPKMMAPT
SCHEMBL5856202 0.89 ATM (0.49) HTTKMT2ATHRBPKMMAPT
SCHEMBL5855580 0.89 ATM (0.49) HTTKMT2ATHRBPKMMAPT
SCHEMBL5855740 0.89 ATM (0.49) HTTKMT2ATHRBPKMMAPT
SCHEMBL5857531 0.73 THRB (0.51) HTTKMT2ATHRBPKMMAPT
SCHEMBL5857535 0.72 KMT2A (0.41) KMT2AMAPTATMMEN1CYP4F2
SCHEMBL5858562 0.72 THRB (0.40) HTTKMT2ATHRBPKMMAPT
SCHEMBL5856022 0.71 THRB (0.48) HTTKMT2ATHRBPKMMAPT

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 HTT 405/4885KMT2A 1723/4885THRB 1051/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE HTT 487/4885KMT2A 2137/4885THRB 1589/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC HTT 417/4885KMT2A 2456/4885THRB 1161/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC HTT 417/4885KMT2A 2456/4885THRB 1161/4885

“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.