SCHEMBL5856022

SCHEMBL5856022

CCOC(=O)CCCC(NC(=O)c1ccc(C)cc1)(C(=O)OCC)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
PKM P14618 1/20 0.48
HTT P42858 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
ATM Q13315 2/20 0.46
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.38

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
SCHEMBL5855727 0.90 ATM (0.54) THRBPKMHTTATMMAPT
SCHEMBL5856049 0.86 ATM (0.53) THRBPKMHTTATMMAPT
SCHEMBL5857531 0.85 THRB (0.51) THRBPKMHTTTDP1ATM
SCHEMBL5857271 0.80 HTT (0.48) THRBPKMHTTTDP1ATM
SCHEMBL5855749 0.73 THRB (0.42) THRBPKMHTTTDP1ATM
SCHEMBL11088503 0.72 HTT (0.82) THRBPKMHTTTDP1ATM
SCHEMBL14679110 0.72 LMNA (0.58) TDP1MAPTL3MBTL1KMT2ASMN1; SMN2
SCHEMBL5858434 0.72 HTT (0.47) THRBPKMHTTATMMAPT
SCHEMBL20039961 0.71 KMT2A (0.53) HTTTDP1MAPTL3MBTL1KMT2A
SCHEMBL13149442 0.71 TDP1 (0.77) TDP1L3MBTL1MEN1KMT2ASMN1; SMN2

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 2799/4885HTT 405/4885
US-20050009892-A1 Heterocyclic compounds GPR119, LIPC, LIPE THRB 1589/4885PKM 3109/4885HTT 487/4885
US-20040162325-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885HTT 417/4885
US-20030166697-A1 Heterocyclic compounds LIPE, GPR119, LIPC THRB 1161/4885PKM 3595/4885HTT 417/4885

“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.