SCHEMBL3472334

SCHEMBL3472334

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCOCC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.71

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.71
NR1H2 P55055 6/20 0.71
NR1H3 Q13133 6/20 0.71
SMPD1 P17405 1/20 0.54
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
MAPT P10636 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 1/20 0.49
HTT P42858 1/20 0.49
HPGD P15428 1/20 0.49
PTGS2 P35354 6/20 0.48
NPSR1 Q6W5P4 1/20 0.43
MGLL Q99685 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL3472498 0.94 RXRA (0.65) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3473605 0.93 RXRA (0.61) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3471296 0.93 RXRA (0.74) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3471131 0.92 RXRA (0.73) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3472436 0.92 RXRA (0.73) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3471687 0.91 RXRA (0.72) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3471934 0.90 RXRA (0.60) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3473231 0.90 RXRA (0.66) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3474509 0.89 RXRA (0.70) RXRANR1H2NR1H3SMPD1MEN1
SCHEMBL3473318 0.89 RXRA (0.72) RXRANR1H2NR1H3SMPD1SMN1; SMN2

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 5 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 claimed
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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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 (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 RXRA 18/4885NR1H2 1/4885NR1H3 2/4885

“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.