SCHEMBL3472047

SCHEMBL3472047

COC(=O)c1ccccc1-c1ccc(-c2cc(C(C)(C)O)nn2-c2ccccc2Cl)s1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.60
NR1H2 P55055 6/20 0.60
NR1H3 Q13133 6/20 0.60
SLC16A3 O15427 5/20 0.39
SLC16A1 P53985 4/20 0.39
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TGFBR1 P36897 1/20 0.35
FABP3 P05413 1/20 0.35
FABP4 P15090 1/20 0.35
HCRTR2 O43614 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
TP53 P04637 1/20 0.34
PDE4B Q07343 1/20 0.34
STIM1 Q13586 1/20 0.34
ORAI1 Q96D31 1/20 0.34

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
SCHEMBL3478538 0.90 RXRA (0.57) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473467 0.89 RXRA (0.63) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473365 0.83 RXRA (0.67) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3472294 0.83 RXRA (0.64) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471847 0.83 RXRA (0.60) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3473194 0.83 RXRA (0.60) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL15690843 0.83 RXRA (0.56) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471042 0.82 RXRA (0.64) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471068 0.82 RXRA (0.63) RXRANR1H2NR1H3SLC16A3SLC16A1
SCHEMBL3471899 0.82 RXRA (0.69) RXRANR1H2NR1H3SLC16A3SLC16A1

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
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US claimed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-8703805-B2 Modulators of LXR EXELIXIS PATENT COMPANY LLC (US) 2014-04-22 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
US-20100331295-A1 MODULATORS OF LXR EXELIXIS, INC. (US) 2010-12-30 US disclosed
EP-1910307-A1 PYRAZOLE BASED LXR MODULATORS Exelixis, Inc. (US) 2008-04-16 EP disclosed
WO-2007002559-A1 PYRAZOLE BASED LXR MODULATORS EXELIXIS, INC. (US) 2007-01-04 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-20100331295-A1 MODULATORS OF LXR NR1H2, NR1H3, NR1H4 RXRA 18/4885NR1H2 1/4885NR1H3 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.