SCHEMBL2108776

SCHEMBL2108776

CC(C)(C)OC(=O)NNC(=S)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.44
ALDH1A1 P00352 2/20 0.43
APLNR P35414 1/20 0.42
LMNA P02545 2/20 0.42
POLB P06746 1/20 0.42
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
ALOX12 P18054 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
CYP17A1 P05093 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
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
SCHEMBL17680521 0.86 SMN1; SMN2 (0.49) GAAALDH1A1APLNRLMNAPOLB
SCHEMBL2107820 0.84 GAA (0.51) GAAALDH1A1POLBMEN1RAB9A
SCHEMBL2108802 0.84 CHRNA1 (0.47) GAAALDH1A1APLNRLMNAPOLB
SCHEMBL2109746 0.81 GAA (0.40) GAAALDH1A1APLNRLMNAPOLB
SCHEMBL457622 0.79 GAA (0.64) GAAALDH1A1LMNAPOLBALOX12
SCHEMBL15829741 0.78 GAA (0.50) GAAALDH1A1APLNRLMNAPOLB
SCHEMBL16856169 0.78 S1PR2 (0.48) GAAALDH1A1POLBMEN1RAB9A
SCHEMBL2109912 0.77 HDAC1 (0.45) GAAALDH1A1APLNRLMNAPOLB
SCHEMBL26913835 0.76 ITGB1 (0.43) GAAALDH1A1LMNAPOLBMEN1
SCHEMBL5147818 0.76 LMNA (0.46) GAAALDH1A1APLNRLMNAPOLB

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 9 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
CN-1918155-B Compounds and compositions as LXR modulators IRM LLC 2010-05-26 CN disclosed
US-20090325981-A1 Compounds and compositions as lxr modulators IRM LLC (BM) 2009-12-31 US disclosed
CN-1918155-A Compounds and compositions as lxr modulators IRM LLC (BM) 2007-02-21 CN 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 GAA 1203/4885ALDH1A1 3768/4885APLNR 716/4885
US-20090325981-A1 Compounds and compositions as lxr modulators NR1H2, NR1H3, NR1H4 GAA 1203/4885ALDH1A1 3768/4885APLNR 716/4885
US-20120214812-A1 COMPOUNDS AND COMPOSITIONS AS LXR MODULATORS NR1H2, NR1H3, NR1H4 GAA 1203/4885ALDH1A1 3768/4885APLNR 716/4885

“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.