SCHEMBL3475911

SCHEMBL3475911

Cc1cc(-c2cccc(S(C)(=O)=O)c2)sc1-c1cc(C(=O)NCC(F)(F)F)nn1-c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 10/20 0.47
RXRA P19793 9/20 0.47
NR1H3 Q13133 9/20 0.47
CNR1 P21554 1/20 0.35
SLC16A3 O15427 1/20 0.35
SLC16A1 P53985 1/20 0.35
MCTS1 Q9ULC4 1/20 0.35
MALT1 Q9UDY8 1/20 0.35
LIMK1 P53667 1/20 0.34
LIMK2 P53671 1/20 0.34
HDAC3 O15379 1/20 0.34
PTGS2 P35354 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
PIK3CA P42336 2/20 0.33
IDH2 P48735 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
PIK3CD O00329 1/20 0.33

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
SCHEMBL3472767 0.84 NR1H2 (0.45) NR1H2RXRANR1H3SLC16A3SLC16A1
SCHEMBL3470697 0.81 RXRA (0.47) NR1H2RXRANR1H3MALT1PTGS2
SCHEMBL3470791 0.81 RXRA (0.73) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3473361 0.80 NR1H2 (0.62) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3473255 0.76 NR1H2 (0.69) NR1H2RXRANR1H3CNR1PTGS2
SCHEMBL3470849 0.74 NR1H2 (0.70) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3472145 0.73 NR1H2 (0.67) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3471294 0.73 NR1H2 (0.83) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3475904 0.72 NR1H2 (0.55) NR1H2RXRANR1H3CNR1PIK3CA
SCHEMBL3471642 0.71 RXRA (0.77) NR1H2RXRANR1H3CNR1SLC16A3

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 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.