SCHEMBL3473055

SCHEMBL3473055

CCCc1ccc(NS(=O)(=O)c2ccc(-c3cc(C(F)(F)F)n(C)n3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES2 Q9H7Z7 1/20 0.59
GAA P10253 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
POLB P06746 3/20 0.47
ALDH1A1 P00352 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
TYMS P04818 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DRD2 P14416 1/20 0.37
HTR2C P28335 1/20 0.37
DRD3 P35462 1/20 0.37
HTR6 P50406 1/20 0.37
PFKFB3 Q16875 1/20 0.36
GABRA1 P14867 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
SCHEMBL3474039 0.92 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3472410 0.86 PTGES2 (0.64) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3473873 0.85 PTGES2 (0.63) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3474660 0.85 PTGES2 (0.58) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3474065 0.85 PTGES2 (0.64) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3473840 0.84 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3475107 0.84 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3471666 0.84 PTGES2 (0.61) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL15690849 0.83 PTGES2 (0.63) PTGES2GAAL3MBTL1POLBALDH1A1
SCHEMBL3473396 0.83 PTGES2 (0.60) PTGES2GAAL3MBTL1POLBALDH1A1

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.