SCHEMBL3474015

SCHEMBL3474015

Cc1ccnc(NC(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)n1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 8/20 0.69
NR1H2 P55055 8/20 0.69
NR1H3 Q13133 8/20 0.69
CNR1 P21554 1/20 0.40
GRM5 P41594 1/20 0.40
JAK2 O60674 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
IDH2 P48735 1/20 0.36
FLT3 P36888 1/20 0.35
HTT P42858 1/20 0.35
SYK P43405 1/20 0.35
PRKDC P78527 1/20 0.35
ATM Q13315 1/20 0.35
ATR Q13535 1/20 0.35
SLC5A1 P13866 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
SCHEMBL3473025 0.86 RXRA (0.73) RXRANR1H2NR1H3CNR1GRM5
SCHEMBL14623269 0.85 RXRA (0.80) RXRANR1H2NR1H3CNR1FLT3
SCHEMBL3471545 0.85 RXRA (0.74) RXRANR1H2NR1H3CNR1JAK2
SCHEMBL3472718 0.85 RXRA (0.82) RXRANR1H2NR1H3CNR1JAK2
SCHEMBL3472973 0.83 NR1H2 (0.77) RXRANR1H2NR1H3CNR1FLT3
SCHEMBL3471521 0.83 RXRA (0.71) RXRANR1H2NR1H3CNR1L3MBTL1
SCHEMBL3471734 0.83 RXRA (0.81) RXRANR1H2NR1H3CNR1HTT
SCHEMBL3472055 0.83 NR1H2 (0.81) RXRANR1H2NR1H3CNR1FLT3
SCHEMBL3473473 0.83 RXRA (0.81) RXRANR1H2NR1H3CNR1FLT3
SCHEMBL14624827 0.82 RXRA (0.75) RXRANR1H2NR1H3CNR1FLT3

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.