SCHEMBL4239452

SCHEMBL4239452

CC(C)(Oc1cccc2c1ccn2CCCN1c2ccccc2Sc2ccccc21)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.53
PPARG P37231 3/20 0.51
PPARD Q03181 1/20 0.49
PTGS2 P35354 3/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 1/20 0.44
HSD17B10 Q99714 1/20 0.44
KDM1A O60341 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 2/20 0.42
HTR1A P08908 3/20 0.39
ADRA2A P08913 3/20 0.39
DRD2 P14416 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
ADRA1A P35348 3/20 0.39
DRD3 P35462 3/20 0.39

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
SCHEMBL4244818 0.86 PPARA (0.53) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4230153 0.84 PPARA (0.53) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4239918 0.82 PPARA (0.57) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4241790 0.75 PPARA (0.71) PPARAPPARGPPARDDRD2DRD1
SCHEMBL4241584 0.74 PPARA (0.59) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4239732 0.73 PPARA (0.56) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4237875 0.73 PPARA (0.52) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4235265 0.73 PPARA (0.51) PPARAPPARGPPARDALDH1A1KDM4E
SCHEMBL4233398 0.73 PPARA (0.58) PPARAPPARGPPARDALDH1A1KMT2A
SCHEMBL4237886 0.71 PPARA (0.56) PPARAPPARGPPARDALDH1A1KDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689389-A4 INDOLE COMPOUNDS NAT HEALTH RESEARCH INSTITUTES (TW) 2009-06-17 EP disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
US-7449478-B2 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2008-11-11 US disclosed
EP-1689389-A2 INDOLE COMPOUNDS National Health Research Institutes (TW) 2006-08-16 EP disclosed
WO-2005056522-A2 INDOLE COMPOUNDS NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-23 WO disclosed
US-20050124675-A1 Indole compounds NATIONAL HEALTH RESEARCH INSTITUTES (TW) 2005-06-09 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 (1 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-20050124675-A1 Indole compounds PPARG, PPARD, PPARA PPARA 3/4885PPARG 1/4885PPARD 2/4885

“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.