SCHEMBL3473771

SCHEMBL3473771

CN(C)[C@@H]1CCN(C(=O)c2cc(-c3ccc(-c4cccc(S(C)(=O)=O)c4)s3)n(-c3ccccc3Cl)n2)C1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.65
NR1H2 P55055 7/20 0.65
NR1H3 Q13133 7/20 0.65
MALT1 Q9UDY8 1/20 0.49
NTRK1 P04629 2/20 0.38
KDM1A O60341 1/20 0.38
MCHR1 Q99705 2/20 0.38
SMPD1 P17405 1/20 0.37
NR1I2 O75469 2/20 0.37
CACNA1B Q00975 2/20 0.37
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
EPHX2 P34913 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3CA P42336 1/20 0.36
CNR1 P21554 1/20 0.35

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
SCHEMBL3474179 0.95 RXRA (0.67) RXRANR1H2NR1H3MALT1NTRK1
SCHEMBL3472460 0.94 RXRA (0.62) RXRANR1H2NR1H3MALT1NTRK1
SCHEMBL3473389 0.92 RXRA (0.62) RXRANR1H2NR1H3MALT1KDM1A
SCHEMBL3471697 0.90 RXRA (0.68) RXRANR1H2NR1H3MALT1NTRK1
SCHEMBL3474509 0.88 RXRA (0.70) RXRANR1H2NR1H3SMPD1PTGS1
SCHEMBL3473318 0.88 RXRA (0.72) RXRANR1H2NR1H3SMPD1PTGS1
SCHEMBL3471590 0.88 RXRA (0.69) RXRANR1H2NR1H3SMPD1PTGS1
SCHEMBL3472067 0.87 RXRA (0.66) RXRANR1H2NR1H3KDM1ASMPD1
SCHEMBL3474067 0.87 RXRA (0.65) RXRANR1H2NR1H3KDM1ASMPD1
SCHEMBL3471296 0.87 RXRA (0.74) RXRANR1H2NR1H3MALT1SMPD1

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 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.