SCHEMBL3471218

SCHEMBL3471218

CC(C)(O)c1nn(-c2cncc(F)c2)c(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)s2)c1Br

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.39
RXRA P19793 1/20 0.39
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTGS2 P35354 12/20 0.36
PTGS1 P23219 4/20 0.36
ESR1 P03372 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A9 P48067 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MT-CO1 P00395 1/20 0.34
MT-CO2 P00403 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL3471884 0.93 RXRA (0.47) RXRANR1H2NR1H3SLC6A9CYP2C9
SCHEMBL3472138 0.82 RXRA (0.51) FLT3RXRANR1H2NR1H3SLC6A9
SCHEMBL3472732 0.78 NR1H2 (0.47) FLT3RXRANR1H2NR1H3PTGS2
SCHEMBL3471809 0.77 RXRA (0.43) FLT3RXRANR1H2NR1H3PTGS2
SCHEMBL3472562 0.76 RXRA (0.64) FLT3RXRANR1H2NR1H3PTGS2
SCHEMBL3471879 0.75 NR1H2 (0.53) RXRANR1H2NR1H3
SCHEMBL3474365 0.75 NR1H2 (0.59) RXRANR1H2NR1H3
SCHEMBL3473105 0.74 NR1H2 (0.61) FLT3RXRANR1H2NR1H3
SCHEMBL3471225 0.74 RXRA (0.56) FLT3RXRANR1H2NR1H3
SCHEMBL3474961 0.74 NR1H2 (0.54) RXRANR1H2NR1H3

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 FLT3 1138/4885RXRA 18/4885NR1H2 1/4885

“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.