SCHEMBL3472030

SCHEMBL3472030

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)N4CCCC4)nn3-c3c(Cl)cccc3Cl)c(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
MALT1 Q9UDY8 1/20 0.45
NR1H2 P55055 7/20 0.43
RXRA P19793 5/20 0.43
NR1H3 Q13133 5/20 0.43
HSD11B1 P28845 1/20 0.41
PTGS2 P35354 6/20 0.40
PTGS1 P23219 1/20 0.40
CNR1 P21554 1/20 0.39
SMPD1 P17405 1/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KLF5 Q13887 1/20 0.37

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
SCHEMBL3473999 0.93 CHRNA7 (0.44) CHRNA7MALT1NR1H2RXRANR1H3
SCHEMBL3471432 0.82 EPHX2 (0.47) MALT1NR1H2RXRANR1H3HSD11B1
SCHEMBL3473402 0.82 PTGS1 (0.45) MALT1NR1H2RXRANR1H3HSD11B1
SCHEMBL3471856 0.82 NR1H2 (0.44) MALT1NR1H2RXRANR1H3HSD11B1
SCHEMBL3472957 0.82 NR1H2 (0.47) NR1H2RXRANR1H3HSD11B1
SCHEMBL3470697 0.82 RXRA (0.47) CHRNA7MALT1NR1H2RXRANR1H3
SCHEMBL3472174 0.80 NR1H2 (0.46) MALT1NR1H2RXRANR1H3PTGS2
SCHEMBL3472981 0.79 NR1H2 (0.44) NR1H2RXRANR1H3CNR1
SCHEMBL3472767 0.79 NR1H2 (0.45) MALT1NR1H2RXRANR1H3
SCHEMBL2256963 0.79 NR1H2 (0.59) NR1H2RXRANR1H3HSD11B1

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 CHRNA7 704/4885MALT1 2992/4885NR1H2 1/4885

“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.