SCHEMBL3471396

SCHEMBL3471396

COc1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(-c2cnc(SC)c(C)c2)cs1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.36
PTGS1 P23219 3/20 0.36
CACNA1B Q00975 3/20 0.36
RXRA P19793 2/20 0.35
NR1H2 P55055 2/20 0.35
NR1H3 Q13133 2/20 0.35
POLB P06746 1/20 0.35
KCNH2 Q12809 1/20 0.35
MAPT P10636 2/20 0.35
THRB P10828 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NR3C1 P04150 2/20 0.34
PGR P06401 2/20 0.34
NR3C2 P08235 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34

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
SCHEMBL3471725 0.85 RXRA (0.43) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3472412 0.82 RXRA (0.37) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3473039 0.77 PTGS2 (0.43) PTGS2PTGS1CACNA1BRXRANR1H2
SCHEMBL3472813 0.76 NR1H2 (0.60) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3472149 0.76 RXRA (0.59) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3472729 0.75 RXRA (0.60) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3471814 0.71 MAPT (0.39) PTGS2PTGS1CACNA1BRXRANR1H2
SCHEMBL3472153 0.69 RXRA (0.48) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3471933 0.69 NR1H2 (0.57) PTGS2PTGS1RXRANR1H2NR1H3
SCHEMBL3474390 0.68 NR1H2 (0.56) PTGS2PTGS1RXRANR1H2NR1H3

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 3 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-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 PTGS2 1500/4885PTGS1 803/4885CACNA1B 3667/4885

“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.