SCHEMBL3472730

SCHEMBL3472730

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCC[C@H]4CN4CCCC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.62
NR1H2 P55055 6/20 0.62
NR1H3 Q13133 6/20 0.62
HRH3 Q9Y5N1 3/20 0.40
MET P08581 5/20 0.39
ALK Q9UM73 4/20 0.39
CSF1R P07333 2/20 0.38
F10 P00742 1/20 0.37
PLK4 O00444 1/20 0.36
RIOK3 O14730 1/20 0.36
CASK O14936 1/20 0.36
GAK O14976 1/20 0.36
DCLK1 O15075 1/20 0.36
EPHB6 O15197 1/20 0.36
MAP3K13 O43283 1/20 0.36
MAP3K7 O43318 1/20 0.36
NUAK1 O60285 1/20 0.36
JAK2 O60674 1/20 0.36
ROCK2 O75116 1/20 0.36
ULK1 O75385 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
SCHEMBL3474153 0.92 RXRA (0.65) RXRANR1H2NR1H3ABL1NTRK1
SCHEMBL3474279 0.86 RXRA (0.65) RXRANR1H2NR1H3TDP1
SCHEMBL3471296 0.85 RXRA (0.74) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471607 0.84 RXRA (0.67) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3472436 0.84 RXRA (0.73) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3474653 0.84 NR1H2 (0.62) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3472877 0.84 RXRA (0.66) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3471786 0.83 RXRA (0.59) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473689 0.82 RXRA (0.60) RXRANR1H2NR1H3JAK1MEN1
SCHEMBL3472067 0.82 RXRA (0.66) RXRANR1H2NR1H3

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 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.