SCHEMBL3218700

SCHEMBL3218700

O=C(O)Nc1ccc(-c2ccc(OCc3cc(C(F)(F)F)nn3-c3ccccc3Cl)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 2/20 0.44
RXRA P19793 2/20 0.43
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
KLKB1 P03952 1/20 0.42
CNR1 P21554 1/20 0.42
MAPT P10636 8/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CARM1 Q86X55 1/20 0.41
THRB P10828 1/20 0.41
TGFBR1 P36897 1/20 0.41
TP53 P04637 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
POLB P06746 2/20 0.40
MAPK14 Q16539 1/20 0.39
PDPK1 O15530 1/20 0.39

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
SCHEMBL2257395 0.93 PTGS2 (0.46) P2RY1RXRANR1H2NR1H3KLKB1
SCHEMBL12361445 0.92 SMN1; SMN2 (0.44) P2RY1RXRANR1H2NR1H3KLKB1
SCHEMBL2260114 0.89 RXRA (0.49) RXRANR1H2NR1H3MAPTTGFBR1
SCHEMBL2259001 0.89 NR4A2 (0.46) RXRANR1H2NR1H3TRPV1
SCHEMBL2256859 0.87 CYP2C9 (0.46) RXRANR1H2NR1H3CNR1SMN1; SMN2
SCHEMBL2257146 0.86 MAOB (0.47) RXRANR1H2NR1H3MAPTTGFBR1
SCHEMBL2258160 0.85 RXRA (0.44) RXRANR1H2NR1H3CNR1MAPT
SCHEMBL2257772 0.84 RXRA (0.43) RXRANR1H2NR1H3MAPTTGFBR1
SCHEMBL2258478 0.84 RXRA (0.43) RXRANR1H2NR1H3MAPTTGFBR1
SCHEMBL2256763 0.84 NR4A2 (0.40) RXRANR1H2NR1H3MAPTSMN1; SMN2

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 4 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-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 P2RY1 302/4885RXRA 8/4885NR1H2 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.