SCHEMBL3472013

SCHEMBL3472013

CS(=O)(=O)c1cccc(-c2csc(-c3cc(C(F)(F)F)nn3-c3ccccc3OCc3ccncc3)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.53
NR1H3 Q13133 9/20 0.53
RXRA P19793 7/20 0.53
PTGS2 P35354 2/20 0.40
SYK P43405 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.36
S1PR1 P21453 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
SCHEMBL15690869 0.90 NR1H3 (0.52) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3474405 0.89 NR1H2 (0.53) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3471933 0.89 NR1H2 (0.57) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3472510 0.88 RXRA (0.47) NR1H2NR1H3RXRAPTGS2
SCHEMBL3474957 0.87 RXRA (0.49) NR1H2NR1H3RXRAPTGS2
SCHEMBL3474390 0.87 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3472970 0.87 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3472146 0.86 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2SYK
SCHEMBL3473347 0.86 NR1H2 (0.55) NR1H2NR1H3RXRAPTGS2
SCHEMBL3472813 0.86 NR1H2 (0.60) NR1H2NR1H3RXRAPTGS2

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 9 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
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 WO 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 1/4885NR1H3 2/4885RXRA 18/4885

“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.