SCHEMBL3473840

SCHEMBL3473840

COc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.61
GAA P10253 3/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.47
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
ALDH1A1 P00352 2/20 0.45
FFAR4 Q5NUL3 1/20 0.43
MAPT P10636 4/20 0.42
LMNA P02545 3/20 0.42
TP53 P04637 2/20 0.42
PTGS2 P35354 1/20 0.42
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GUSB P08236 1/20 0.41
MAPK1 P28482 1/20 0.40

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
SCHEMBL15690858 0.89 PTGES2 (0.60) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3472410 0.88 PTGES2 (0.64) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3473873 0.87 PTGES2 (0.63) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3474065 0.86 PTGES2 (0.64) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3471666 0.85 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3475107 0.85 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3474039 0.85 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL15690849 0.85 PTGES2 (0.63) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL3472654 0.84 PTGES2 (0.64) PTGES2GAAL3MBTL1POLBMEN1
SCHEMBL12334074 0.84 GAA (0.61) PTGES2GAAL3MBTL1POLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 PTGES2 1035/4885GAA 2305/4885L3MBTL1 2172/4885

“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.