SCHEMBL2256388

SCHEMBL2256388

FC(F)(F)c1cc(COc2ccc(-c3ccccc3)cc2)n(-c2c(Cl)cccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
PTGS1 P23219 6/20 0.40
MAPT P10636 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
PTGS2 P35354 5/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
THPO P40225 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PDPK1 O15530 1/20 0.38
PTGER4 P35408 1/20 0.38
GRM2 Q14416 1/20 0.36

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
SCHEMBL2259121 0.95 KDM4E (0.42) RXRANR1H2NR1H3MAPTTRPV1
SCHEMBL2256513 0.95 RXRA (0.38) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2256747 0.93 PTGS1 (0.46) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2258977 0.92 TRPV1 (0.41) RXRANR1H2NR1H3PTGS1TRPV1
SCHEMBL12361744 0.92 TRPV1 (0.38) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2259785 0.92 TRPV1 (0.41) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2259666 0.91 NT5E (0.43) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2257548 0.91 NR1H2 (0.40) RXRANR1H2NR1H3MAPT
SCHEMBL2257416 0.91 PTGS2 (0.42) RXRANR1H2NR1H3PTGS1MAPT
SCHEMBL2261346 0.91 MAPT (0.43) RXRANR1H2NR1H3PTGS1MAPT

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 8 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
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.