SCHEMBL3473298

SCHEMBL3473298

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCN(CCCc5ccccc5)CC4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.62
NR1H2 P55055 6/20 0.62
NR1H3 Q13133 6/20 0.62
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MGLL Q99685 3/20 0.39
SMPD1 P17405 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
LMNA P02545 1/20 0.37

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) RXRANR1H2NR1H3MGLLSMPD1
SCHEMBL3474285 0.91 RXRA (0.64) RXRANR1H2NR1H3MGLLSMPD1
SCHEMBL3473491 0.91 RXRA (0.68) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3472803 0.91 RXRA (0.63) RXRANR1H2NR1H3SMPD1DRD2
SCHEMBL3472950 0.91 RXRA (0.63) RXRANR1H2NR1H3SMPD1DRD2
SCHEMBL3471607 0.90 RXRA (0.67) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473514 0.90 RXRA (0.67) RXRANR1H2NR1H3MEN1KMT2A
SCHEMBL3473291 0.90 RXRA (0.67) RXRANR1H2NR1H3SMPD1DRD2
SCHEMBL3473418 0.90 RXRA (0.62) RXRANR1H2NR1H3MGLLSMPD1
SCHEMBL3472877 0.90 RXRA (0.66) RXRANR1H2NR1H3MEN1KMT2A

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.