SCHEMBL4575880

SCHEMBL4575880

CCc1cnc(N(CCc2ccc(O)cc2)Cc2ccc(C(F)(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.42
NR1H3 Q13133 4/20 0.42
ESRRG P62508 1/20 0.38
BCHE P06276 1/20 0.37
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
KIF11 P52732 1/20 0.36
PDE2A O00408 1/20 0.35
MAOB P27338 1/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
RORC P51449 1/20 0.35
ESR1 P03372 1/20 0.35
ESR2 Q92731 1/20 0.35

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
SCHEMBL4575060 0.86 BCHE (0.43) NR1H2NR1H3BCHELMNA
SCHEMBL4575413 0.85 ESR1 (0.37) NR1H2NR1H3PDE2AMAOBKDM4E
SCHEMBL4575352 0.85 CYP19A1 (0.34) NR1H2NR1H3ESRRGPDE2AMAOB
SCHEMBL4575226 0.85 CYP19A1 (0.33) NR1H2NR1H3PPARGPPARDPPARA
SCHEMBL14411844 0.84 RORC (0.36) NR1H2NR1H3MAOBRORC
SCHEMBL4575012 0.83 PPARD (0.47) PPARGPPARDPPARAMAOBSMN1; SMN2
SCHEMBL4575105 0.81 PPARA (0.52) PPARGPPARDPPARA
SCHEMBL4575837 0.81 PPARA (0.41) PPARGPPARDPPARAMAOB
SCHEMBL4576198 0.80 PPARA (0.44) PPARGPPARDPPARASMN1; SMN2
SCHEMBL14411845 0.80 RORC (0.35) NR1H2NR1H3MAOBKDM4ELMNA

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-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 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-20050137212-A1 Hppars activators PPARG, PPARA, PPARD NR1H2 5/4885NR1H3 4/4885ESRRG 368/4885

“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.