SCHEMBL3472382

SCHEMBL3472382

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NCC(F)(F)F)nn3-c3cccnc3C(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.46
RXRA P19793 7/20 0.46
NR1H3 Q13133 7/20 0.46
NTRK1 P04629 6/20 0.38
MARS1 P56192 1/20 0.37
KLKB1 P03952 1/20 0.36
IDH2 P48735 2/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 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
SCHEMBL3472179 0.91 NR1H2 (0.45) NR1H2RXRANR1H3NTRK1MARS1
SCHEMBL3472540 0.86 NR1H2 (0.42) NR1H2RXRANR1H3KLKB1IDH2
SCHEMBL3472767 0.86 NR1H2 (0.45) NR1H2RXRANR1H3MARS1KLKB1
SCHEMBL3472934 0.83 NR1H2 (0.56) NR1H2RXRANR1H3
SCHEMBL3472644 0.77 NR1H2 (0.44) NR1H2RXRANR1H3KLKB1CTSL
SCHEMBL3470791 0.77 RXRA (0.73) NR1H2RXRANR1H3IDH2
SCHEMBL3473570 0.76 NR1H2 (0.47) NR1H2RXRANR1H3
SCHEMBL3475904 0.75 NR1H2 (0.55) NR1H2RXRANR1H3IDH2
SCHEMBL3471964 0.74 NR1H2 (0.50) NR1H2RXRANR1H3
SCHEMBL3472174 0.74 NR1H2 (0.46) NR1H2RXRANR1H3MARS1CTSL

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 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.