SCHEMBL3470995

SCHEMBL3470995

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(CN4CCN(CC(=O)N5CCOCC5)CC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.59
NR1H2 P55055 7/20 0.59
NR1H3 Q13133 7/20 0.59
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
PTK2 Q05397 1/20 0.39
SLC16A3 O15427 4/20 0.39
SLC16A1 P53985 4/20 0.39
MCTS1 Q9ULC4 2/20 0.39
NPC1 O15118 2/20 0.38
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMPD1 P17405 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PTGS1 P23219 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL3473091 0.94 RXRA (0.62) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473459 0.91 RXRA (0.66) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473605 0.89 RXRA (0.61) RXRANR1H2NR1H3NPC1MAPT
SCHEMBL3470870 0.86 RXRA (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3473681 0.86 RXRA (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3472413 0.86 NR1H2 (0.67) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3474012 0.85 RXRA (0.60) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL3472913 0.85 NR1H3 (0.69) RXRANR1H2NR1H3JAK2JAK3
SCHEMBL15690922 0.85 RXRA (0.60) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473384 0.85 RXRA (0.64) 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 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.