SCHEMBL2256128

SCHEMBL2256128

OCc1cccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.47
NR1H2 P55055 3/20 0.47
NR1H3 Q13133 3/20 0.47
NR1H4 Q96RI1 1/20 0.44
PPARD Q03181 1/20 0.41
PPARA Q07869 1/20 0.41
FFAR1 O14842 7/20 0.39
SLC5A1 P13866 2/20 0.38
FYN P06241 1/20 0.37
TGFBR1 P36897 1/20 0.37
NR3C2 P08235 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
ADAMTS5 Q9UNA0 1/20 0.36
GRM2 Q14416 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
SCHEMBL2258478 0.92 RXRA (0.43) RXRANR1H2NR1H3NR1H4TGFBR1
SCHEMBL2256223 0.89 PPARD (0.54) RXRANR1H2NR1H3NR1H4PPARD
SCHEMBL2260114 0.89 RXRA (0.49) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL16326411 0.87 RXRA (0.51) RXRANR1H2NR1H3PPARDPPARA
SCHEMBL2256982 0.86 RXRA (0.50) RXRANR1H2NR1H3SLC5A1TGFBR1
SCHEMBL2257420 0.85 NR1H2 (0.50) RXRANR1H2NR1H3SLC5A1TGFBR1
SCHEMBL2257524 0.85 RXRA (0.47) RXRANR1H2NR1H3SLC5A1TGFBR1
SCHEMBL2257733 0.85 GAA (0.42) RXRANR1H2NR1H3TGFBR1NR3C2
SCHEMBL2258608 0.84 RXRA (0.49) RXRANR1H2NR1H3NR1H4PPARD
SCHEMBL2256115 0.84 PTGS2 (0.48) RXRANR1H2NR1H3TGFBR1

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
EP-2121621-B1 LXR AND FXR MODULATORS EXELIXIS PATENT CO LLC (US) 2014-05-07 EP 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-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
US-20100069367-A1 LXR and FXR Modulators EXELIXIS, INC. (US) 2010-03-18 US disclosed
EP-2121621-A1 LXR AND FXR MODULATORS Exelixis, Inc. (US) 2009-11-25 EP 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 RXRA 8/4885NR1H2 2/4885NR1H3 1/4885

“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.