SCHEMBL3472828

SCHEMBL3472828

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NCCc4cccs4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.67
NR1H2 P55055 7/20 0.67
NR1H3 Q13133 7/20 0.67
MALT1 Q9UDY8 1/20 0.40
ADAM10 O14672 1/20 0.39
MMP12 P39900 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
IL1B P01584 1/20 0.37
P2RX7 Q99572 1/20 0.37
CNR1 P21554 1/20 0.37
TAAR1 Q96RJ0 2/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MC4R P32245 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
SCHEMBL14624827 0.89 RXRA (0.75) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474122 0.88 RXRA (0.73) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3472973 0.87 NR1H2 (0.77) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474515 0.87 RXRA (0.67) RXRANR1H2NR1H3MALT1LMNA
SCHEMBL3477287 0.87 RXRA (0.67) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474729 0.86 RXRA (0.71) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3474852 0.86 RXRA (0.71) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3471550 0.85 RXRA (0.75) RXRANR1H2NR1H3MALT1LMNA
SCHEMBL3474717 0.85 RXRA (0.70) RXRANR1H2NR1H3MALT1CNR1
SCHEMBL3473456 0.85 RXRA (0.70) RXRANR1H2NR1H3MALT1CNR1

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 claimed
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

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.