SCHEMBL497485

SCHEMBL497485

CC(C)c1nnn(-c2ccccc2C(F)(F)F)c1CO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.44
SLC5A2 P31639 1/20 0.44
SCN9A Q15858 1/20 0.38
CYP1A2 P05177 2/20 0.37
KCNN4 O15554 1/20 0.36
DHODH Q02127 1/20 0.36
ALDH1A1 P00352 4/20 0.35
APP P05067 1/20 0.35
TDP1 Q9NUW8 3/20 0.35
LMNA P02545 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PMP22 Q01453 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34

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
SCHEMBL497639 0.81 KCNN4 (0.40) SLC5A1SLC5A2SCN9ACYP1A2KCNN4
SCHEMBL2772320 0.76 DHODH (0.39) SLC5A1SLC5A2SCN9ACYP1A2KCNN4
SCHEMBL498086 0.75 SLC5A1 (0.64) SLC5A1SLC5A2SCN9AAPPMAPT
SCHEMBL3158844 0.72 NR1H4 (0.47) SLC5A1SLC5A2SCN9A
SCHEMBL2770799 0.66 TRPA1 (0.38) SLC5A1SLC5A2CYP1A2KCNN4DHODH
SCHEMBL498054 0.63 KCNN4 (0.42) SCN9ACYP1A2KCNN4ALDH1A1HSD11B1
SCHEMBL28183815 0.63 SLC5A1 (0.47) SLC5A1SLC5A2CYP1A2ALDH1A1TDP1
SCHEMBL8758973 0.62 KCNN4 (0.49) SLC5A1SLC5A2SCN9ACYP1A2KCNN4
SCHEMBL28457576 0.62 KDM4E (0.50) SLC5A1SLC5A2SCN9ACYP1A2KCNN4
SCHEMBL30336006 0.62 SLC5A1 (0.46) SLC5A1SLC5A2SCN9ACYP1A2ALDH1A1

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 2 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
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 321/4885SCN9A 3726/4885

“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.