SCHEMBL3964286

SCHEMBL3964286

CC(C)(Sc1ccc(OC(c2ccc(C(F)(F)F)cc2)c2cccc3cn[nH]c23)cc1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.35
NLRP3 Q96P20 1/20 0.34
TRPV1 Q8NER1 3/20 0.33
PPARA Q07869 3/20 0.33
PPARD Q03181 1/20 0.33
SLC6A9 P48067 3/20 0.33
PPARG P37231 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.31
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
AURKA O14965 1/20 0.31
DAPK3 O43293 1/20 0.31
MAP4K4 O95819 1/20 0.31
CSF1R P07333 1/20 0.31
RET P07949 1/20 0.31
FGFR1 P11362 1/20 0.31
PDGFRA P16234 1/20 0.31
LTK P29376 1/20 0.31
KDR P35968 1/20 0.31
MAP2K2 P36507 1/20 0.31

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
SCHEMBL3962072 0.86 PPARA (0.40) NLRP3PPARAPPARDPPARG
SCHEMBL3966218 0.86 TRPV1 (0.44) SLC22A12TRPV1
SCHEMBL3964614 0.80 PPARD (0.46) PPARAPPARDPPARG
SCHEMBL3961774 0.77 PPARA (0.38) PPARAPPARDPPARG
SCHEMBL3967848 0.72 TRPV1 (0.46) TRPV1PPARAPPARDPPARG
SCHEMBL3957557 0.71 PPARD (0.48) PPARAPPARDPPARG
SCHEMBL5708200 0.70 PARP1 (0.38) SLC22A12PPARAPPARDPTGDR2KDR
SCHEMBL13791621 0.68 CCR1 (0.39) SLC22A12
SCHEMBL3965143 0.67 PPARD (0.46) TRPV1PPARAPPARDPPARG
SCHEMBL3963247 0.66 PPARD (0.39) PPARAPPARDPPARGPTGDR2

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-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US claimed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US claimed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 US disclosed
EP-1706386-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-10-04 EP disclosed
WO-2005066136-A1 BICYCLIC DERIVATIVES AS PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-07-21 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-20070106081-A1 Bicyclic derivatives as ppar modulators PPARD, PPARA, PPARG SLC22A12 1058/4885NLRP3 2934/4885TRPV1 528/4885

“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.