SCHEMBL3474548

SCHEMBL3474548

CC(C)(O)c1nn(-c2ccccc2Br)c(-c2ccc(-c3ccc(S(C)(=O)=O)cc3)s2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.53
NR1H2 P55055 11/20 0.53
NR1H3 Q13133 11/20 0.53
FLT3 P36888 2/20 0.37
PTGS2 P35354 4/20 0.34
PTGS1 P23219 4/20 0.34
CNR1 P21554 1/20 0.33

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
SCHEMBL3471528 0.94 RXRA (0.61) RXRANR1H2NR1H3FLT3CNR1
SCHEMBL3472049 0.89 RXRA (0.51) RXRANR1H2NR1H3FLT3PTGS2
SCHEMBL3471614 0.85 NR1H2 (0.73) RXRANR1H2NR1H3FLT3CNR1
SCHEMBL3474365 0.85 NR1H2 (0.59) RXRANR1H2NR1H3CNR1
SCHEMBL3471690 0.83 RXRA (0.61) RXRANR1H2NR1H3FLT3CNR1
SCHEMBL3474026 0.83 NR1H2 (0.61) RXRANR1H2NR1H3FLT3CNR1
SCHEMBL3472732 0.82 NR1H2 (0.47) RXRANR1H2NR1H3FLT3PTGS2
SCHEMBL3472605 0.82 NR1H2 (0.63) RXRANR1H2NR1H3CNR1
SCHEMBL3470992 0.82 RXRA (0.71) RXRANR1H2NR1H3FLT3PTGS2
SCHEMBL3473359 0.81 RXRA (0.45) RXRANR1H2NR1H3FLT3PTGS2

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.