SCHEMBL3472428

SCHEMBL3472428

O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 12/20 0.56
KMT2A Q03164 12/20 0.56
MAPT P10636 5/20 0.54
KDM4E B2RXH2 1/20 0.54
POLB P06746 3/20 0.53
HTT P42858 2/20 0.53
LMNA P02545 2/20 0.53
USP2 O75604 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
RXFP1 Q9HBX9 1/20 0.51
ALDH1A1 P00352 9/20 0.51
CYP3A4 P08684 1/20 0.51
PTGS1 P23219 1/20 0.51
AVPR2 P30518 1/20 0.51
GPR27 Q9NS67 1/20 0.51
RECQL P46063 3/20 0.49
MCL1 Q07820 1/20 0.49
TDP1 Q9NUW8 2/20 0.49
HPGD P15428 1/20 0.49
CTDSP1 Q9GZU7 1/20 0.49

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
SCHEMBL3474242 0.88 RXRA (0.50) MEN1KMT2AMAPTPOLBLMNA
SCHEMBL3472748 0.85 MAPT (0.51) MAPTPOLBPTGS1
SCHEMBL3473293 0.85 RXRA (0.54) MAPTPOLBHTTALDH1A1PTGS1
SCHEMBL3473704 0.83 RXRA (0.55) MAPTPOLBPTGS1
SCHEMBL3471938 0.82 ORAI1 (0.60) MAPTPOLBPTGS1
SCHEMBL3471277 0.82 MAPT (0.57) MAPTPOLBPTGS1
SCHEMBL3471324 0.82 MAPT (0.59) MAPTPOLB
SCHEMBL3473035 0.81 CNR1 (0.55) MAPTPOLB
SCHEMBL3473312 0.81 MAPT (0.54) MAPTPOLB
SCHEMBL3474142 0.81 MAPT (0.59) MAPTPOLB

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 MEN1 3666/4885KMT2A 2663/4885MAPT 4737/4885

“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.