SCHEMBL1097227

SCHEMBL1097227

FC(F)(F)Oc1ccccc1C=NOCl

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANO1 Q5XXA6 1/20 0.40
GRIN2B Q13224 3/20 0.39
GRIN1 Q05586 2/20 0.39
ALDH1A1 P00352 4/20 0.38
PTGES2 Q9H7Z7 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
CCR3 P51677 1/20 0.34
HPGD P15428 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MAPT P10636 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL10079375 0.83 ADRA2A (0.43) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL1095535 0.79 HPGD (0.56) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL31182399 0.79 PTGES2 (0.44) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL30444481 0.79 HPGD (0.56) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL1095537 0.79 HPGD (0.56) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL21222709 0.79 HPGD (0.56) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL24517871 0.72 PTGES2 (0.40) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL96815 0.72 ALDH1A1 (0.55) ALDH1A1PTGES2LMNACCR3HPGD
SCHEMBL9823818 0.72 PTGES2 (0.40) ANO1GRIN2BGRIN1ALDH1A1PTGES2
SCHEMBL1046653 0.72 PTGES2 (0.40) ANO1GRIN2BGRIN1ALDH1A1PTGES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153624-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-04-10 US disclosed
EP-2178851-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2011-12-28 EP disclosed
US-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2010-06-17 US disclosed
EP-2178851-A1 COMPOUNDS AND METHODS FOR MODULATING FXR Eli Lilly & Company (US) 2010-04-28 EP disclosed
WO-2009012125-A1 COMPOUNDS AND METHODS FOR MODULATING FXR ELI LILLY AND COMPANY (US) 2009-01-22 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-20100152166-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, FXR1, SLC10A1 ANO1 2901/4885GRIN2B 714/4885GRIN1 556/4885

“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.