SCHEMBL498090

SCHEMBL498090

CCOC(=O)c1c(C(F)(F)F)nnn1-c1ccccc1OC(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 6/20 0.46
SLC5A2 P31639 6/20 0.46
ALDH1A1 P00352 4/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.42
TP53 P04637 1/20 0.41
ALOX12 P18054 1/20 0.41
SCN9A Q15858 3/20 0.41
ELANE P08246 1/20 0.39
KCNN4 O15554 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HCAR1 Q9BXC0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL498213 0.85 SLC5A1 (0.47) SLC5A1SLC5A2ALDH1A1TP53ALOX12
SCHEMBL497828 0.84 SLC5A1 (0.42) SLC5A1SLC5A2ALDH1A1KDM4ETP53
SCHEMBL498000 0.76 ALDH1A1 (0.44) SLC5A1SLC5A2ALDH1A1KDM4EHPGD
SCHEMBL498054 0.75 KCNN4 (0.42) ALDH1A1SCN9AKCNN4HCAR1
SCHEMBL2771605 0.74 SCN9A (0.41) ALDH1A1KDM4EHPGDSCN9AELANE
SCHEMBL15881976 0.74 ALDH1A1 (0.46) SLC5A1SLC5A2ALDH1A1KDM4EHPGD
SCHEMBL29186022 0.74 SLC5A1 (0.46) SLC5A1SLC5A2ALDH1A1KDM4EHPGD
SCHEMBL29574242 0.74 GAA (0.44) SLC5A1SLC5A2ALDH1A1KDM4EHPGD
SCHEMBL22717498 0.74 GAA (0.44) SLC5A1SLC5A2ALDH1A1KDM4EHPGD
SCHEMBL27740959 0.73 KCNN4 (0.40) ALDH1A1SCN9AKCNN4HSD17B10HCAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8106077-B2 Compounds and methods for modulating FXR ELI LILLY AND COMPANY (US) 2012-01-31 US disclosed
EP-2029558-B1 COMPOUNDS AND METHODS FOR MODULATING FXR LILLY CO ELI (US) 2010-03-10 EP disclosed
US-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR JPMORGAN CHASE BANK, N.A., AS SUCCESSOR COLLATERAL AGENT 2009-04-09 US 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-20090093524-A1 COMPOUNDS AND METHODS FOR MODULATING FXR NR1H4, SLC10A1, FXR1 SLC5A1 264/4885SLC5A2 321/4885ALDH1A1 2294/4885

“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.