SCHEMBL947583

SCHEMBL947583

CCCC(=O)NCCC(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.48
MLYCD O95822 1/20 0.39
HPGD P15428 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
NAAA Q02083 1/20 0.38
EPHX2 P34913 1/20 0.38
CTSD P07339 1/20 0.38
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
FAAH O00519 1/20 0.37
GAA P10253 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
SCHEMBL947922 0.88 FAAH (0.53) CASP2NAAAEPHX2RECQLFAAH
SCHEMBL1709282 0.87 MEN1 (0.48) MLYCDHPGDEPHX2RECQLGAA
SCHEMBL7099277 0.86 FAAH (0.56) CASP2NAAAEPHX2FAAHGAA
SCHEMBL30271864 0.84 CASP2 (0.41) CASP2HPGDEPHX2
SCHEMBL8596100 0.84 ECE1 (0.40) MLYCDEPHX2RECQLFAAHGAA
SCHEMBL30111127 0.84 EPHX2 (0.49) CASP2MLYCDHDAC8EPHX2RECQL
SCHEMBL27426198 0.84 MLYCD (0.39) MLYCDHPGDEPHX2RECQLGAA
SCHEMBL8531447 0.84 TSHR (0.46) MLYCDHPGDEPHX2RECQL
SCHEMBL6184206 0.84 EPHX2 (0.40) MLYCDHPGDNAAAEPHX2RECQL
SCHEMBL6184198 0.84 EPHX2 (0.40) MLYCDHPGDEPHX2RECQLSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-01-13 US disclosed
US-20070004736-A1 Imidazole derivative, process for producing the same, and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-04 US disclosed
EP-1564213-A1 IMIDAZOLE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE Takeda Pharmaceutical Company Limited (JP) 2005-08-17 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-20070004736-A1 Imidazole derivative, process for producing the same, and use HRH4, F2, HRH2 CASP2 761/4885MLYCD 1754/4885HPGD 356/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 CASP2 1024/4885MLYCD 1963/4885HPGD 248/4885

“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.