SCHEMBL3472840

SCHEMBL3472840

CCOC(=O)C(CO)NC(=O)c1cc(-c2ccc(-c3cccc(S(C)(=O)=O)c3)s2)n(-c2ccccc2Cl)n1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 8/20 0.69
RXRA P19793 7/20 0.69
NR1H3 Q13133 7/20 0.69
PHGDH O43175 1/20 0.38
PTGS2 P35354 8/20 0.38
CNR1 P21554 1/20 0.37
SLC16A3 O15427 1/20 0.37
SLC16A1 P53985 1/20 0.37
MCTS1 Q9ULC4 1/20 0.37
DYRK3 O43781 1/20 0.36
CCNT1 O60563 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 1/20 0.36
CDK9 P50750 1/20 0.36
CDK5 Q00535 1/20 0.36
DYRK1A Q13627 1/20 0.36
CDK5R1 Q15078 1/20 0.36
DYRK2 Q92630 1/20 0.36
DYRK1B Q9Y463 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
SCHEMBL3471372 1.00 NR1H2 (0.69) NR1H2RXRANR1H3PHGDHPTGS2
SCHEMBL3474953 0.92 RXRA (0.72) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3474331 0.89 RXRA (0.73) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3471679 0.88 NR1H2 (0.72) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL14623604 0.86 RXRA (0.68) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL3472494 0.85 NR1H2 (0.69) NR1H2RXRANR1H3PHGDHPTGS2
SCHEMBL3472973 0.85 NR1H2 (0.77) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL14624827 0.84 RXRA (0.75) NR1H2RXRANR1H3PTGS2CNR1
SCHEMBL14623269 0.84 RXRA (0.80) NR1H2RXRANR1H3CNR1SLC16A3
SCHEMBL3472718 0.83 RXRA (0.82) NR1H2RXRANR1H3PTGS2CNR1

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 7 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 claimed
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 NR1H2 1/4885RXRA 18/4885NR1H3 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.