SCHEMBL2256205

SCHEMBL2256205

CC(=O)Nc1ccc(-c2ccc(NC(=O)c3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
F10 P00742 9/20 0.54
F2 P00734 7/20 0.54
KLKB1 P03952 2/20 0.54
PTGS2 P35354 1/20 0.50
CARM1 Q86X55 2/20 0.49
RXRA P19793 1/20 0.48
NR1H2 P55055 1/20 0.48
NR1H3 Q13133 1/20 0.48
TSHR P16473 1/20 0.47
ROCK1 Q13464 1/20 0.47
POLB P06746 2/20 0.47
PRSS1 P07477 3/20 0.47
PRSS2 P07478 3/20 0.47
PRSS3 P35030 3/20 0.47

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
SCHEMBL2259105 0.88 F10 (0.46) F10F2KLKB1CARM1RXRA
SCHEMBL2260910 0.87 F10 (0.51) F10F2KLKB1CARM1POLB
SCHEMBL2261823 0.86 F10 (0.51) F10F2KLKB1PTGS2CARM1
SCHEMBL2260149 0.86 F10 (0.50) F10F2KLKB1PTGS2CARM1
SCHEMBL3473738 0.85 PTGS2 (0.57) PTGS2RXRANR1H2NR1H3POLB
SCHEMBL2256471 0.85 KLKB1 (0.51) F10F2KLKB1CARM1
SCHEMBL14177269 0.83 F10 (0.50) F10F2KLKB1CARM1PRSS1
SCHEMBL2256640 0.82 F10 (0.49) F10F2KLKB1CARM1
SCHEMBL2257395 0.81 PTGS2 (0.46) KLKB1PTGS2RXRANR1H2NR1H3
SCHEMBL2259509 0.80 CYP11B2 (0.51) F10F2KLKB1CARM1

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-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-7998995-B2 LXR and FXR modulators EXELIXIS PATENT COMPANY LLC (US) 2011-08-16 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
WO-2008073825-A1 LXR AND FXR MODULATORS EXELIXIS, INC. (US) 2008-06-19 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-20100069367-A1 LXR and FXR Modulators NR1H3, NR1H2, NR1H4 F10 143/4885F2 290/4885KLKB1 1356/4885

“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.