SCHEMBL3473005

SCHEMBL3473005

CS(=O)(=O)c1cccc(-c2ccc(-c3cc(C(=O)NCc4ccco4)nn3-c3ccccc3Cl)s2)c1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.68
NR1H2 P55055 6/20 0.68
NR1H3 Q13133 6/20 0.68
ALDH1A1 P00352 8/20 0.45
RAB9A P51151 6/20 0.44
NPC1 O15118 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.41
HPGD P15428 2/20 0.41
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL3472973 0.87 NR1H2 (0.77) RXRANR1H2NR1H3
SCHEMBL14624827 0.86 RXRA (0.75) RXRANR1H2NR1H3
SCHEMBL3472414 0.86 RXRA (0.70) RXRANR1H2NR1H3ALDH1A1HSD17B10
SCHEMBL15641686 0.86 RXRA (0.70) RXRANR1H2NR1H3ALDH1A1RAB9A
SCHEMBL3471691 0.86 RXRA (0.67) RXRANR1H2NR1H3
SCHEMBL3470791 0.85 RXRA (0.73) RXRANR1H2NR1H3
SCHEMBL3474122 0.85 RXRA (0.73) RXRANR1H2NR1H3
SCHEMBL3470711 0.85 RXRA (0.68) RXRANR1H2NR1H3KMT2A
SCHEMBL3471059 0.85 RXRA (0.68) RXRANR1H2NR1H3ALDH1A1HSD17B10
SCHEMBL14623269 0.85 RXRA (0.80) RXRANR1H2NR1H3KMT2A

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.