SCHEMBL3473363

SCHEMBL3473363

NS(=O)(=O)c1ccccc1NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.54
NR1H2 P55055 3/20 0.54
NR1H3 Q13133 3/20 0.54
PTGS2 P35354 8/20 0.48
F10 P00742 4/20 0.47
F2 P00734 2/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
KLKB1 P03952 1/20 0.47
PROC P04070 1/20 0.47
PRSS1 P07477 1/20 0.47
PDPK1 O15530 3/20 0.47
PTGS1 P23219 3/20 0.46
MAPT P10636 1/20 0.45

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
SCHEMBL3472951 0.89 RXRA (0.56) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL3474968 0.88 RXRA (0.53) RXRANR1H2NR1H3PTGS2MAPT
SCHEMBL3471024 0.88 RXRA (0.52) RXRANR1H2NR1H3PTGS2CA1
SCHEMBL14623306 0.87 RXRA (0.52) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL15690923 0.86 RXRA (0.55) RXRANR1H2NR1H3PTGS2PDPK1
SCHEMBL3471907 0.86 RXRA (0.53) RXRANR1H2NR1H3MAPT
SCHEMBL3475539 0.86 RXRA (0.56) RXRANR1H2NR1H3PTGS2PDPK1
SCHEMBL14624090 0.86 RXRA (0.53) RXRANR1H2NR1H3MAPT
SCHEMBL3475001 0.85 RXRA (0.51) RXRANR1H2NR1H3PDPK1MAPT
SCHEMBL3472854 0.85 RXRA (0.55) RXRANR1H2NR1H3MAPT

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 2 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-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.