SCHEMBL2108802

SCHEMBL2108802

CC(C)(C)OC(=O)NNC(=S)c1ccc(F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.47
CHRNG P07510 1/20 0.47
CHRNB1 P11230 1/20 0.47
CHRNB2 P17787 1/20 0.47
SLC6A2 P23975 1/20 0.47
CHRNB4 P30926 1/20 0.47
CHRNA3 P32297 1/20 0.47
CHRNA4 P43681 1/20 0.47
SLC6A3 Q01959 1/20 0.47
CHRND Q07001 1/20 0.47
GAA P10253 3/20 0.44
ALDH1A1 P00352 2/20 0.43
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
TRPA1 O75762 1/20 0.41
CYP17A1 P05093 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
APLNR P35414 1/20 0.39
MEN1 O00255 2/20 0.38

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
SCHEMBL2108776 0.84 GAA (0.44) GAAALDH1A1CES2CES1CYP17A1
SCHEMBL26913835 0.83 ITGB1 (0.43) GAAALDH1A1POLBLMNAMEN1
SCHEMBL17680521 0.79 SMN1; SMN2 (0.49) GAAALDH1A1CES2CES1POLB
SCHEMBL2109746 0.78 GAA (0.40) GAAALDH1A1CYP17A1POLBLMNA
SCHEMBL15081451 0.76 SLC6A3 (0.63) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL6165320 0.76 ALDH1A1 (0.46) GAAALDH1A1POLBRAB9A
SCHEMBL5147818 0.75 LMNA (0.46) GAAALDH1A1CES2CES1POLB
SCHEMBL30208191 0.75 CES2 (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL4208340 0.75 CES2 (0.53) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2
SCHEMBL21180476 0.74 CHRNA1 (0.43) CHRNA1CHRNGCHRNB1CHRNB2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2013-12-26 US disclosed
US-8569345-B2 Compounds and compositions as LXR modulators MOLTENI VALENTINA (US) 2013-10-29 US disclosed
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2012-08-23 US disclosed
US-8158662-B2 Compounds and compositions as LXR modulators HAMILTON (BM) 2012-04-17 US disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
EP-1713799-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM, LLC (BM) 2006-10-25 EP disclosed
WO-2005077124-A2 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS IRM LLC (BM) 2005-08-25 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 (3 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-20130345220-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 CHRNA1 576/4885CHRNG 531/4885CHRNB1 713/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 CHRNA1 576/4885CHRNG 531/4885CHRNB1 713/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 CHRNA1 576/4885CHRNG 531/4885CHRNB1 713/4885

“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.