SCHEMBL2859879

SCHEMBL2859879

CCCOc1cc(-c2nc(Cn3cc(C(=O)O)cn3)c(C)s2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.39
PPARA Q07869 6/20 0.39
RARB P10826 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
RARA P10276 2/20 0.35
RARG P13631 2/20 0.35
XPO1 O14980 1/20 0.34
CTSS P25774 1/20 0.33
PPARD Q03181 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
MAOB P27338 1/20 0.33
PLA2G4A P47712 1/20 0.33

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
SCHEMBL2860240 0.92 PPARG (0.38) PPARGPPARARARBRXRARXRB
SCHEMBL2857069 0.90 PPARG (0.43) PPARGPPARACTSSPPARD
SCHEMBL2859204 0.88 ALKBH1 (0.41) PPARGPPARACTSSPPARD
SCHEMBL2860124 0.87 FFAR4 (0.39) PPARGPPARAL3MBTL1RXRARXRB
SCHEMBL12876713 0.87 PPARG (0.39) PPARGPPARARXRARXRBRXRG
SCHEMBL2863096 0.87 PPARG (0.38) PPARGPPARAXPO1CTSSALDH1A1
SCHEMBL2859056 0.87 PPARA (0.33) PPARGPPARAL3MBTL1RXRARXRB
SCHEMBL1198731 0.87 RXRA (0.37) PPARGPPARAL3MBTL1RXRARXRB
SCHEMBL12876719 0.86 ALKBH1 (0.44) PPARGPPARARXRARXRBRXRG
SCHEMBL2859175 0.86 PPARD (0.42) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-8461348-B2 Heterocyclic derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-06-11 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
US-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-02-03 US disclosed
EP-2264017-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2010-12-22 EP disclosed
WO-2009123316-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF 武田薬品工業株式会社 (JP) 2009-10-08 WO 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-20110028493-A1 HETEROCYCLIC DERIVATIVE AND USE THEREOF PDE3B, PDE5A, PDE2A PPARG 139/4885PPARA 517/4885RARB 2205/4885

“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.