SCHEMBL3470697

SCHEMBL3470697

Cc1cc(-c2cccc(S(C)(=O)=O)c2)sc1-c1cc(C(=O)N2CCCC2)nn1-c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.47
NR1H2 P55055 6/20 0.47
NR1H3 Q13133 6/20 0.47
CHRNA7 P36544 1/20 0.41
MALT1 Q9UDY8 1/20 0.40
PTGS2 P35354 8/20 0.40
PTGS1 P23219 2/20 0.40
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
EPHX2 P34913 1/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
SMPD1 P17405 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
SCHEMBL3473999 0.84 CHRNA7 (0.44) RXRANR1H2NR1H3CHRNA7MALT1
SCHEMBL3472030 0.82 CHRNA7 (0.46) RXRANR1H2NR1H3CHRNA7MALT1
SCHEMBL3473361 0.82 NR1H2 (0.62) RXRANR1H2NR1H3
SCHEMBL3475911 0.81 NR1H2 (0.47) RXRANR1H2NR1H3MALT1PTGS2
SCHEMBL3471296 0.80 RXRA (0.74) RXRANR1H2NR1H3CHRNA7MALT1
SCHEMBL3472436 0.79 RXRA (0.73) RXRANR1H2NR1H3CHRNA7MALT1
SCHEMBL3471531 0.75 RXRA (0.67) RXRANR1H2NR1H3CHRNA7MALT1
SCHEMBL3472145 0.75 NR1H2 (0.67) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3472795 0.74 RXRA (0.68) RXRANR1H2NR1H3CHRNA7PTGS2
SCHEMBL3471131 0.74 RXRA (0.73) RXRANR1H2NR1H3PTGS2PTGS1

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.