SCHEMBL3471732

SCHEMBL3471732

CCCc1ccccc1-n1nc(C(F)(F)F)cc1-c1cc(-c2cccc(S(C)(=O)=O)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 9/20 0.58
NR1H3 Q13133 9/20 0.58
RXRA P19793 7/20 0.58
PTGS2 P35354 4/20 0.44
NR3C2 P08235 1/20 0.39
F10 P00742 2/20 0.38
CYP2C9 P11712 1/20 0.37
PTGS1 P23219 1/20 0.37

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
SCHEMBL3472087 0.95 NR1H2 (0.62) NR1H2NR1H3RXRAPTGS2NR3C2
SCHEMBL3471026 0.85 RXRA (0.62) NR1H2NR1H3RXRAPTGS2CYP2C9
SCHEMBL3472727 0.85 RXRA (0.78) NR1H2NR1H3RXRAPTGS2NR3C2
SCHEMBL3471933 0.85 NR1H2 (0.57) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3473283 0.85 RXRA (0.53) NR1H2NR1H3RXRAPTGS2NR3C2
SCHEMBL3472813 0.84 NR1H2 (0.60) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3472470 0.84 NR1H2 (0.60) NR1H2NR1H3RXRAPTGS2CYP2C9
SCHEMBL3474359 0.83 RXRA (0.59) NR1H2NR1H3RXRAPTGS2CYP2C9
SCHEMBL3474390 0.82 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2PTGS1
SCHEMBL3472970 0.82 NR1H2 (0.56) NR1H2NR1H3RXRAPTGS2PTGS1

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 3 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-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 1/4885NR1H3 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.