SCHEMBL3474466

SCHEMBL3474466

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCN(CC(=O)O)CC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.67
NR1H2 P55055 7/20 0.67
NR1H3 Q13133 7/20 0.67
SMPD1 P17405 1/20 0.42
MGLL Q99685 2/20 0.38
PTGS2 P35354 5/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
PTGS1 P23219 2/20 0.37
EPHX2 P34913 1/20 0.37
CNR1 P21554 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3472189 0.92 RXRA (0.67) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3473710 0.92 RXRA (0.69) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3473491 0.92 RXRA (0.68) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3473514 0.91 RXRA (0.67) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3471607 0.91 RXRA (0.67) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3471131 0.90 RXRA (0.73) RXRANR1H2NR1H3SMPD1PTGS2
SCHEMBL3472877 0.90 RXRA (0.66) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3473605 0.90 RXRA (0.61) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3471687 0.90 RXRA (0.72) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3471296 0.90 RXRA (0.74) RXRANR1H2NR1H3SMPD1PTGS2

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-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-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
US-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR AUSPEX PHARMACEUTICALS, INC. (US) 2010-05-27 US 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 (2 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-20100130617-A1 ETHANOLAMINE MODULATORS OF NMDA RECEPTOR AND MUSCARINIC ACETYLCHOLINE RECEPTOR CHRM3, CHRM5, CHRM4 RXRA 505/4885NR1H2 335/4885NR1H3 321/4885
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.