SCHEMBL3471306

SCHEMBL3471306

CS(=O)(=O)c1cccc(-c2csc(-c3cc(C(F)(F)F)nn3-c3ccccc3OCCN3CCOCC3)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.49
NR1H2 P55055 7/20 0.49
NR1H3 Q13133 7/20 0.49
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
PTGS2 P35354 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
KDM4E B2RXH2 1/20 0.37
TRPV4 Q9HBA0 1/20 0.37
MAPK13 O15264 1/20 0.36
TNF P01375 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
PTPN1 P18031 1/20 0.36
HTR2A P28223 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
SCHEMBL3470968 0.96 RXRA (0.49) RXRANR1H2NR1H3OXTRAVPR1A
SCHEMBL3470906 0.93 NR1H2 (0.51) RXRANR1H2NR1H3PTGS2KDM4E
SCHEMBL3473004 0.89 RXRA (0.50) RXRANR1H2NR1H3AVPR1APTGS2
SCHEMBL3472970 0.87 NR1H2 (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3472146 0.86 NR1H2 (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3471933 0.85 NR1H2 (0.57) RXRANR1H2NR1H3PTGS2
SCHEMBL3471781 0.85 NR1H2 (0.51) RXRANR1H2NR1H3PTGS2
SCHEMBL3471413 0.85 RXRA (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3474390 0.84 NR1H2 (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3473220 0.84 NR1H2 (0.52) RXRANR1H2NR1H3PTGS2

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 3 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-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.