SCHEMBL3473355

SCHEMBL3473355

CCC(CC)N1CCN(C(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.66
RXRA P19793 7/20 0.66
NR1H3 Q13133 7/20 0.66
SMPD1 P17405 1/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
POLB P06746 1/20 0.38
PTGS2 P35354 4/20 0.37
PTGS1 P23219 2/20 0.37
EPHX2 P34913 1/20 0.36
CNR1 P21554 1/20 0.36
SLC16A3 O15427 1/20 0.36
SLC16A1 P53985 1/20 0.36
MCTS1 Q9ULC4 1/20 0.36
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HPGD P15428 1/20 0.35
CYP1A2 P05177 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
SCHEMBL3473123 0.93 NR1H2 (0.65) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3471741 0.92 RXRA (0.69) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3471526 0.90 NR1H2 (0.63) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3473710 0.90 RXRA (0.69) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3471131 0.90 RXRA (0.73) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3473491 0.89 RXRA (0.68) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3471687 0.89 RXRA (0.72) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3471296 0.89 RXRA (0.74) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3472436 0.88 RXRA (0.73) NR1H2RXRANR1H3SMPD1MEN1
SCHEMBL3473514 0.87 RXRA (0.67) NR1H2RXRANR1H3SMPD1MEN1

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 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

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 NR1H2 1/4885RXRA 18/4885NR1H3 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.