SCHEMBL3473459

SCHEMBL3473459

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(CN4CCOCC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.66
NR1H2 P55055 7/20 0.66
NR1H3 Q13133 7/20 0.66
JAK2 O60674 3/20 0.44
JAK3 P52333 3/20 0.44
PTK2 Q05397 3/20 0.44
SLC16A3 O15427 5/20 0.40
SLC16A1 P53985 4/20 0.40
MCTS1 Q9ULC4 2/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
MTOR P42345 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
FLT3 P36888 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
SCHEMBL3472913 0.92 NR1H3 (0.69) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3474691 0.92 NR1H3 (0.68) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473653 0.92 NR1H3 (0.68) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3470995 0.91 RXRA (0.59) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473681 0.91 RXRA (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3470870 0.91 RXRA (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3472413 0.91 NR1H2 (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3472592 0.91 NR1H2 (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473384 0.90 RXRA (0.64) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3475226 0.90 RXRA (0.61) RXRANR1H2NR1H3JAK2JAK3

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 7 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
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.