SCHEMBL3472722

SCHEMBL3472722

NC(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1-c1nccs1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
NR3C2 P08235 4/20 0.45
PDPK1 O15530 4/20 0.40
PTGS2 P35354 3/20 0.38
PTGS1 P23219 2/20 0.38
SLC5A1 P13866 1/20 0.36
RORC P51449 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
SCHEMBL3471577 0.79 RXRA (0.49) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3472717 0.76 EIF4E (0.45) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3474242 0.75 RXRA (0.50) RXRANR1H2NR1H3NR3C2
SCHEMBL3473982 0.73 NR3C2 (0.47) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3472770 0.73 RXRA (0.48) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3473980 0.72 RXRA (0.48) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3475001 0.72 RXRA (0.51) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3472147 0.72 RXRA (0.49) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3474848 0.71 RXRA (0.62) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3472956 0.71 RXRA (0.62) RXRANR1H2NR1H3NR3C2PDPK1

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.