SCHEMBL3970530

SCHEMBL3970530

Cc1cccc2c1cnn2-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
SCN9A Q15858 3/20 0.50
CYP17A1 P05093 2/20 0.48
CYP1A2 P05177 2/20 0.48
XDH P47989 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.44
CCR1 P32246 3/20 0.43
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
THRB P10828 1/20 0.42
NR3C1 P04150 3/20 0.42
PGR P06401 1/20 0.42
RAB9A P51151 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42

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
SCHEMBL30491768 0.82 XDH (0.53) CYP11B1CYP11B2SCN9ACYP17A1CYP1A2
SCHEMBL25274445 0.82 XDH (0.47) CYP11B1CYP11B2SCN9AXDHCYP3A4
SCHEMBL30481229 0.82 XDH (0.47) CYP11B1CYP11B2SCN9AXDHCYP3A4
SCHEMBL25257558 0.82 XDH (0.53) CYP11B1CYP11B2SCN9ACYP17A1CYP1A2
SCHEMBL13791629 0.81 CYP1A2 (0.62) CYP11B1CYP11B2CYP17A1CYP1A2MAPT
SCHEMBL27837439 0.80 CYP11B1 (0.52) CYP11B1CYP11B2CYP17A1CYP1A2XDH
SCHEMBL13791113 0.79 SCN9A (0.46) CYP11B1CYP11B2SCN9ACYP17A1CYP1A2
SCHEMBL3961133 0.79 SCN9A (0.45) CYP11B1CYP11B2SCN9AXDHCYP3A4
SCHEMBL3964317 0.78 HIF1A (0.45) CYP11B1CYP11B2CYP1A2XDHCYP3A4
SCHEMBL30491750 0.75 NR3C1 (0.52) CYP11B1CYP11B2XDHHIF1ANR3C1

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 8 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 disclosed
US-7544707-B2 Bicyclic derivatives as PPAR modulators ELI LILLY AND COMPANY (US) 2009-06-09 US disclosed
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
US-20070106081-A1 Bicyclic derivatives as ppar modulators ELI LILLY AND COMPANY 2007-05-10 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 CYP11B1 89/4885CYP11B2 95/4885SCN9A 2141/4885

“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.