SCHEMBL949023

SCHEMBL949023

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

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 11/20 0.56
PPARG P37231 10/20 0.56
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GAA P10253 1/20 0.49
PKM P14618 1/20 0.49
HPGD P15428 1/20 0.49
ALOX12 P18054 1/20 0.49
PPARD Q03181 2/20 0.47
CTSL P07711 1/20 0.44
ACE P12821 1/20 0.43
PTPN1 P18031 1/20 0.43
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
ITGB3 P05106 1/20 0.41
ITGA2B P08514 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL949696 1.00 PPARA (0.56) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL950415 0.90 ALDH1A1 (0.51) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL947775 0.90 ALDH1A1 (0.51) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL5228193 0.88 PPARA (0.57) PPARAPPARGPPARDACEPTPN1
SCHEMBL7250898 0.88 PPARA (0.57) PPARAPPARGPPARDACEPTPN1
SCHEMBL7289392 0.88 PPARA (0.57) PPARAPPARGPPARDACEPTPN1
SCHEMBL1999221 0.81 PPARA (0.55) PPARAPPARGALDH1A1MAPTKDM4E
SCHEMBL8155030 0.81 PPARA (0.55) PPARAPPARGALDH1A1MAPTPPARD
SCHEMBL8163842 0.81 PPARA (0.55) PPARAPPARGALDH1A1MAPTPPARD
SCHEMBL4671732 0.80 PPARA (0.64) PPARAPPARGPPARDCTSLACE

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 PPARA 1902/4885PPARG 1570/4885ALDH1A1 2246/4885
US-20110009389-A1 IMIDAZOLE DERIVATIVE, THEIR PRODUCTION AND USE F2, H1-3, CYC1 PPARA 2010/4885PPARG 1603/4885ALDH1A1 2316/4885

“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.