SCHEMBL3475403

SCHEMBL3475403

COC(=O)c1cc(-c2ccccc2Cl)n(-c2ccc(-c3cccc(S(C)(=O)=O)c3)cn2)n1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 7/20 0.58
RXRA P19793 6/20 0.58
NR1H3 Q13133 6/20 0.58
SMN1; SMN2 Q16637 1/20 0.42
KCNH2 Q12809 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS2 P35354 1/20 0.38
CAMKK2 Q96RR4 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
SCHEMBL3473869 0.90 NR1H2 (0.45) NR1H2RXRANR1H3KCNH2MEN1
SCHEMBL3473773 0.87 NR1H2 (0.61) NR1H2RXRANR1H3SMN1; SMN2MEN1
SCHEMBL14622602 0.85 NR1H2 (0.63) NR1H2RXRANR1H3SMN1; SMN2MEN1
SCHEMBL27716976 0.84 RXRA (0.44) NR1H2RXRANR1H3KCNH2CAMKK2
SCHEMBL3472319 0.83 RXRA (0.57) NR1H2RXRANR1H3SMN1; SMN2KCNH2
SCHEMBL3471949 0.83 RXRA (0.57) NR1H2RXRANR1H3
SCHEMBL3474296 0.82 NR1H2 (0.70) NR1H2RXRANR1H3SMN1; SMN2KCNH2
SCHEMBL3475912 0.79 NR1H2 (0.58) NR1H2RXRANR1H3SMN1; SMN2PTGS2
SCHEMBL6167677 0.78 SMN1; SMN2 (0.49) SMN1; SMN2PTGS2
SCHEMBL3474002 0.77 KMT2A (0.53) NR1H2RXRANR1H3MEN1KMT2A

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 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.