SCHEMBL2256223

SCHEMBL2256223

O=C(O)Cc1cccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARD Q03181 2/20 0.54
PPARA Q07869 1/20 0.54
NR1H2 P55055 4/20 0.47
NR1H3 Q13133 4/20 0.47
RXRA P19793 3/20 0.47
NR1H4 Q96RI1 3/20 0.46
FFAR1 O14842 9/20 0.44
SYK P43405 1/20 0.41
AKR1B1 P15121 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
TRPV1 Q8NER1 1/20 0.41

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
SCHEMBL2256859 0.93 CYP2C9 (0.46) PPARDPPARANR1H2NR1H3RXRA
SCHEMBL2256128 0.89 RXRA (0.47) PPARDPPARANR1H2NR1H3RXRA
SCHEMBL2260114 0.88 RXRA (0.49) PPARDPPARANR1H2NR1H3RXRA
SCHEMBL2259001 0.85 NR4A2 (0.46) NR1H2NR1H3RXRATRPV1
SCHEMBL2258608 0.85 RXRA (0.49) PPARDPPARANR1H2NR1H3RXRA
SCHEMBL2260221 0.84 NR1H4 (0.49) PPARDPPARANR1H2NR1H3RXRA
SCHEMBL2257420 0.84 NR1H2 (0.50) NR1H2NR1H3RXRATRPV1
SCHEMBL2257733 0.84 GAA (0.42) NR1H2NR1H3RXRATRPV1
SCHEMBL3218700 0.84 P2RY1 (0.44) NR1H2NR1H3RXRATRPV1
SCHEMBL2256753 0.83 NR1H4 (0.49) NR1H2NR1H3RXRANR1H4SYK

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 PPARD 57/4885PPARA 77/4885NR1H2 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.