SCHEMBL498086

SCHEMBL498086

CCOC(=O)c1c(C(C)C)nnn1-c1ccccc1C(F)(F)F

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 8/20 0.64
SLC5A2 P31639 8/20 0.64
APP P05067 1/20 0.43
TP53 P04637 2/20 0.41
ALOX12 P18054 1/20 0.41
SCN9A Q15858 1/20 0.40
CACNA1C Q13936 2/20 0.38
MAPT P10636 1/20 0.38
CACNA1F O60840 1/20 0.37
CACNA1D Q01668 1/20 0.37
CACNA1S Q13698 1/20 0.37
EPHX2 P34913 1/20 0.37
PPARG P37231 1/20 0.37

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) SLC5A1SLC5A2TP53ALOX12SCN9A
SCHEMBL28180133 0.78 SLC5A1 (0.67) SLC5A1SLC5A2APPTP53ALOX12
SCHEMBL497485 0.75 SLC5A1 (0.44) SLC5A1SLC5A2APPTP53SCN9A
SCHEMBL497636 0.74 NR1H4 (0.44) SLC5A1SLC5A2TP53ALOX12MAPT
SCHEMBL20077902 0.71 SLC5A1 (0.51) SLC5A1SLC5A2TP53MAPT
SCHEMBL498090 0.71 SLC5A1 (0.46) SLC5A1SLC5A2TP53ALOX12SCN9A
SCHEMBL20951988 0.70 ALDH1A1 (0.65) SLC5A1SLC5A2TP53SCN9AMAPT
SCHEMBL20951787 0.70 SLC5A1 (0.50) SLC5A1SLC5A2TP53MAPT
SCHEMBL30617260 0.70 SLC5A1 (0.50) SLC5A1SLC5A2TP53MAPT
SCHEMBL30617269 0.70 ALDH1A1 (0.65) SLC5A1SLC5A2TP53SCN9AMAPT

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 321/4885APP 4501/4885

“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.