SCHEMBL3471390

SCHEMBL3471390

CCOC(=O)C1CCN(Cc2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)CC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.62
NR1H2 P55055 6/20 0.62
NR1H3 Q13133 6/20 0.62
ALDH1A1 P00352 4/20 0.43
TSHR P16473 3/20 0.43
USP2 O75604 2/20 0.43
HSD17B10 Q99714 2/20 0.43
GAA P10253 1/20 0.43
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC16A3 O15427 3/20 0.41
SLC16A1 P53985 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCTS1 Q9ULC4 1/20 0.40

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
SCHEMBL4599551 0.90 RXRA (0.67) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3475390 0.90 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL3471923 0.89 RXRA (0.69) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473310 0.88 RXRA (0.67) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL3471663 0.87 RXRA (0.56) RXRANR1H2NR1H3ALDH1A1TSHR
SCHEMBL3474854 0.87 RXRA (0.66) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474080 0.87 RXRA (0.65) RXRANR1H2NR1H3ALDH1A1TSHR
SCHEMBL3470870 0.86 RXRA (0.67) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472913 0.86 NR1H3 (0.69) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3474691 0.85 NR1H3 (0.68) RXRANR1H2NR1H3SLC16A3SLC16A1

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 6 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-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
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.