Sugi Predict

Sugi Predict / Compounds / SCHEMBL3472552

SCHEMBL3472552

SCHEMBL3472552

CC(C)(O)c1cc(-c2ccc(-c3cc(F)ccc3F)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 7/20 0.60
▸ NR1H2 P55055 7/20 0.60
▸ NR1H3 Q13133 7/20 0.60
▸ TGFBR1 P36897 1/20 0.35
▸ SLC16A3 O15427 4/20 0.33
▸ SLC16A1 P53985 4/20 0.33
▸ P2RX7 Q99572 1/20 0.33
▸ KCNN4 O15554 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ NR3C2 P08235 1/20 0.33
▸ MAPK11 Q15759 1/20 0.32
▸ MAPK14 Q16539 1/20 0.32
▸ GABRA1 P14867 2/20 0.32
▸ GABRG2 P18507 2/20 0.32
▸ GABRB3 P28472 2/20 0.32
▸ GABRA2 P47869 2/20 0.32
▸ GABRA5 P31644 1/20 0.32
▸ GABRA3 P34903 1/20 0.32
▸ TMEM97 Q5BJF2 1/20 0.31
▸ SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL3474151 0.92 RXRA (0.60) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3471217 0.91 RXRA (0.59) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3473092 0.91 RXRA (0.59) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3471068 0.91 RXRA (0.63) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3470959 0.90 RXRA (0.60) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3471673 0.90 RXRA (0.62) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3475538 0.89 RXRA (0.58) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL3470953 0.89 RXRA (0.57) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3473862 0.89 RXRA (0.57) RXRANR1H2NR1H3TGFBR1SLC16A3
SCHEMBL3472620 0.88 RXRA (0.60) RXRANR1H2NR1H3TGFBR1SLC16A3

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 8 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
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 — — WO 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.