SCHEMBL14622602

SCHEMBL14622602

COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cc2C)n1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.63
NR1H3 Q13133 8/20 0.63
RXRA P19793 7/20 0.63
SMN1; SMN2 Q16637 1/20 0.42
SCN9A Q15858 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.39
PTGS2 P35354 1/20 0.38
SLC16A3 O15427 1/20 0.38
SLC16A1 P53985 1/20 0.38
MCTS1 Q9ULC4 1/20 0.38

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
SCHEMBL3473773 0.88 NR1H2 (0.61) NR1H2NR1H3RXRASMN1; SMN2MEN1
SCHEMBL3475912 0.85 NR1H2 (0.58) NR1H2NR1H3RXRASMN1; SMN2PTGS2
SCHEMBL3475403 0.85 NR1H2 (0.58) NR1H2NR1H3RXRASMN1; SMN2MEN1
SCHEMBL3471738 0.83 NR1H2 (0.62) NR1H2NR1H3RXRASCN9APTGS2
SCHEMBL3472319 0.81 RXRA (0.57) NR1H2NR1H3RXRASMN1; SMN2MEN1
SCHEMBL14622603 0.80 KMT2A (0.48) NR1H2NR1H3RXRASMN1; SMN2SCN9A
SCHEMBL3474296 0.80 NR1H2 (0.70) NR1H2NR1H3RXRASMN1; SMN2PTGS2
SCHEMBL3474695 0.78 NR1H2 (0.70) NR1H2NR1H3RXRASMN1; SMN2PTGS2
SCHEMBL3474002 0.78 KMT2A (0.53) NR1H2NR1H3RXRASCN9AMEN1
SCHEMBL3470760 0.78 NR1H2 (1.00) NR1H2NR1H3RXRASMN1; SMN2SLC16A3

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 5 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-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
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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 NR1H2 1/4885NR1H3 2/4885RXRA 18/4885

“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.