SCHEMBL3473705

SCHEMBL3473705

NC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.49
NR1H2 P55055 3/20 0.49
NR1H3 Q13133 3/20 0.49
PDK2 Q15119 1/20 0.46
NR3C2 P08235 1/20 0.45
JAK2 O60674 1/20 0.45
HTR1A P08908 3/20 0.43
HTR7 P34969 3/20 0.43
SPHK2 Q9NRA0 2/20 0.43
SPHK1 Q9NYA1 2/20 0.43
RHOC P08134 1/20 0.41
RHOA P61586 1/20 0.41
PDPK1 O15530 2/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PTGS2 P35354 1/20 0.39

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
SCHEMBL3473702 1.00 RXRA (0.49) RXRANR1H2NR1H3PDK2NR3C2
SCHEMBL3472397 0.90 RXRA (0.49) RXRANR1H2NR1H3NR3C2JAK2
SCHEMBL3472891 0.89 RXRA (0.49) RXRANR1H2NR1H3PDK2NR3C2
SCHEMBL3472890 0.89 RXRA (0.49) RXRANR1H2NR1H3PDK2NR3C2
SCHEMBL3471992 0.88 RXRA (0.52) RXRANR1H2NR1H3PDK2NR3C2
SCHEMBL3474656 0.87 RXRA (0.49) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3471634 0.86 RXRA (0.51) RXRANR1H2NR1H3NR3C2PDPK1
SCHEMBL3473191 0.86 RXRA (0.49) RXRANR1H2NR1H3NR3C2
SCHEMBL3472817 0.86 RXRA (0.51) RXRANR1H2NR1H3NR3C2PTGS2
SCHEMBL3473698 0.86 RXRA (0.49) RXRANR1H2NR1H3PDK2NR3C2

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.