SCHEMBL3475014

SCHEMBL3475014

FC(F)(F)c1cc(-c2ccc(-c3ccc(N4CCNCC4)nc3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.56
NR1H2 P55055 6/20 0.56
NR1H3 Q13133 6/20 0.56
NR3C2 P08235 2/20 0.46
ADRB1 P08588 1/20 0.39
ALK Q9UM73 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
NMT1 P30419 1/20 0.36
RET P07949 1/20 0.36
CNR2 P34972 1/20 0.36
DGAT1 O75907 1/20 0.35
ADRB2 P07550 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
Tert-Butyl Formate SCHEMBL27738020 0.91 RXRA (0.52) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3471163 0.89 RXRA (0.56) RXRANR1H2NR1H3NR3C2CNR2
SCHEMBL16328868 0.89 NR3C2 (0.44) RXRANR1H2NR1H3NR3C2ADRB1
SCHEMBL27738017 0.82 RXRA (0.53) RXRANR1H2NR1H3NR3C2ALK
SCHEMBL3471876 0.82 RXRA (0.53) RXRANR1H2NR1H3RET
SCHEMBL3471878 0.79 RXRA (0.51) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL12979430 0.75 PTGS1 (0.51) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL3471805 0.75 ADRB1 (0.39) ADRB1ALKNMT1RETCNR2
SCHEMBL3472729 0.75 RXRA (0.60) RXRANR1H2NR1H3NR3C2PTGS1
SCHEMBL3473887 0.74 RXRA (0.74) RXRANR1H2NR1H3PTGS1PTGS2

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.