SCHEMBL3473777

SCHEMBL3473777

CS(=O)(=O)c1cc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3cc(Cl)ccc3Cl)s2)ccc1OCCN1CCOCC1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.48
NR1H2 P55055 6/20 0.48
NR1H3 Q13133 6/20 0.48
TSHR P16473 1/20 0.42
SIGMAR1 Q99720 2/20 0.40
MEN1 O00255 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
KMO O15229 4/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
PTGS2 P35354 1/20 0.36
UTS2R Q9UKP6 1/20 0.36
SYK P43405 1/20 0.36
NPC1 O15118 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
SCHEMBL14624234 0.92 RXRA (0.45) RXRANR1H2NR1H3TSHRSIGMAR1
SCHEMBL3471368 0.87 RXRA (0.53) RXRANR1H2NR1H3PTGS2
SCHEMBL12979959 0.83 RXRA (0.57) RXRANR1H2NR1H3TSHRPTGS2
SCHEMBL3473657 0.81 RXRA (0.47) RXRANR1H2NR1H3PTGS2
SCHEMBL3472859 0.79 RXRA (0.57) RXRANR1H2NR1H3PTGS2
SCHEMBL3474792 0.78 RXRA (0.59) RXRANR1H2NR1H3PTGS2NPC1
SCHEMBL3472987 0.78 NR1H2 (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3474212 0.76 RXRA (0.56) RXRANR1H2NR1H3PTGS2
SCHEMBL3471596 0.76 RXRA (0.52) RXRANR1H2NR1H3PTGS2
SCHEMBL3472618 0.74 RXRA (0.82) RXRANR1H2NR1H3PTGS2

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.