SCHEMBL950417

SCHEMBL950417

CC(C)(C)OC(=O)N[C@](C)(CSc1ccc2cc(Cl)ccc2c1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.39
PPARA Q07869 3/20 0.38
PPARG P37231 1/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
PKM P14618 1/20 0.37
ALOX12 P18054 1/20 0.37
CTSL P07711 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
PPARD Q03181 5/20 0.36
CYP2C9 P11712 1/20 0.36
PTGER1 P34995 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL949023 0.79 PPARA (0.56) PPARAPPARGALDH1A1KDM4EGAA
SCHEMBL949696 0.79 PPARA (0.56) PPARAPPARGALDH1A1KDM4EGAA
SCHEMBL7018125 0.78 IDO1 (0.58) IDO1ALDH1A1KDM4EGAAHPGD
SCHEMBL948237 0.77 PPARA (0.37) PPARAALDH1A1MAPTKMT2AMEN1
SCHEMBL947918 0.77 PPARA (0.37) PPARAALDH1A1MAPTKMT2AMEN1
SCHEMBL948062 0.77 PPARA (0.37) PPARAALDH1A1MAPTKMT2AMEN1
SCHEMBL7015918 0.76 IDO1 (0.54) IDO1ALDH1A1KDM4EHPGDPKM
SCHEMBL950415 0.76 ALDH1A1 (0.51) IDO1PPARAPPARGALDH1A1KDM4E
SCHEMBL947775 0.76 ALDH1A1 (0.51) IDO1PPARAPPARGALDH1A1KDM4E
SCHEMBL7019304 0.75 IDO1 (0.53) IDO1ALDH1A1KDM4EHPGDPKM

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 2 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

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 IDO1 51/4885PPARA 1902/4885PPARG 1570/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 IDO1 54/4885PPARA 2010/4885PPARG 1603/4885

“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.