SCHEMBL3471298

SCHEMBL3471298

Fc1ccc(Cn2nc(C(F)(F)F)cc2-c2ccc(Br)s2)c(F)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.63
NR1H2 P55055 3/20 0.63
NR1H3 Q13133 3/20 0.63
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
PKM P14618 2/20 0.38
PKLR P30613 2/20 0.38
HDAC3 O15379 2/20 0.36
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC7 Q8WUI4 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC10 Q969S8 2/20 0.36
HDAC11 Q96DB2 2/20 0.36
HDAC8 Q9BY41 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
HDAC9 Q9UKV0 2/20 0.36
HDAC5 Q9UQL6 2/20 0.36
GUCY1B2 O75343 1/20 0.36
GUCY1A2 P33402 1/20 0.36

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
SCHEMBL3475580 0.81 NR1H2 (0.43) RXRANR1H2NR1H3PKMPKLR
SCHEMBL3471757 0.78 RXRA (1.00) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL3474540 0.77 RXRA (0.69) RXRANR1H2NR1H3PTGS2KCNK3
SCHEMBL14624785 0.76 PTGS2 (0.46) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL3473492 0.75 RXRA (0.70) RXRANR1H2NR1H3KCNK3RAB9A
SCHEMBL3472176 0.75 RXRA (0.72) RXRANR1H2NR1H3PTGS1PTGS2
SCHEMBL3472178 0.75 RXRA (0.58) RXRANR1H2NR1H3HDAC3HDAC1
SCHEMBL3470788 0.75 RXRA (0.57) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL3474522 0.74 RXRA (0.52) RXRANR1H2NR1H3GUCY1B2GUCY1A2
SCHEMBL12978968 0.70 HDAC3 (0.48) 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 2 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 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.