SCHEMBL3471841

SCHEMBL3471841

CN1CCC(N2CCN(C(=O)c3cc(-c4ccc(-c5cccc(S(C)(=O)=O)c5)s4)n(-c4ccccc4Cl)n3)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.64
NR1H2 P55055 6/20 0.64
NR1H3 Q13133 6/20 0.64
HRH1 P35367 2/20 0.39
CCR3 P51677 2/20 0.39
SMPD1 P17405 1/20 0.39
ACVR1 Q04771 1/20 0.38
MGLL Q99685 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PTGS2 P35354 3/20 0.36
PTGS1 P23219 2/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TACR2 P21452 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
SCHEMBL14624806 0.94 RXRA (0.66) RXRANR1H2NR1H3HRH1CCR3
SCHEMBL3473057 0.93 RXRA (0.65) RXRANR1H2NR1H3HRH1CCR3
SCHEMBL3473742 0.93 RXRA (0.66) RXRANR1H2NR1H3HRH1CCR3
SCHEMBL3471687 0.92 RXRA (0.72) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL16328886 0.92 RXRA (0.53) RXRANR1H2NR1H3HRH1CCR3
SCHEMBL3472795 0.89 RXRA (0.68) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3473965 0.89 RXRA (0.61) RXRANR1H2NR1H3SMPD1MGLL
SCHEMBL3471131 0.88 RXRA (0.73) RXRANR1H2NR1H3SMPD1NPC1
SCHEMBL3472361 0.88 RXRA (0.61) RXRANR1H2NR1H3HRH1CCR3
SCHEMBL3473318 0.88 RXRA (0.72) RXRANR1H2NR1H3SMPD1MGLL

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 4 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

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.