SCHEMBL4948170

SCHEMBL4948170

FC(F)(F)c1cccc(CN(CCCBr)CC(c2ccccc2)c2ccccc2)c1Cl

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 19/20 0.66
NR1H2 P55055 18/20 0.66
RXRA P19793 2/20 0.66
MEN1 O00255 1/20 0.63
NR1I2 O75469 1/20 0.63
ALDH1A1 P00352 1/20 0.63
MAPT P10636 1/20 0.63
VHL P40337 1/20 0.63
RECQL P46063 1/20 0.63
BLM P54132 1/20 0.63
KMT2A Q03164 1/20 0.63

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
SCHEMBL16896720 0.90 NR1H3 (0.58) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL16905361 0.90 NR1H3 (0.58) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL22579186 0.90 NR1H3 (0.58) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL3975467 0.89 NR1H3 (0.64) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4949862 0.89 NR1H3 (0.79) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL30198272 0.89 NR1H3 (0.69) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4948283 0.86 NR1H3 (0.69) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4953598 0.86 NR1H3 (0.73) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL16904939 0.85 NR1H3 (0.52) NR1H3NR1H2RXRAMEN1NR1I2
SCHEMBL4950569 0.84 NR1H3 (0.75) NR1H3NR1H2RXRAMEN1NR1I2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
EP-3091970-B1 LXR AGONISTS AND USES THEREOF RGENIX INC (US) 2020-10-28 EP disclosed
US-10669296-B2 LXR agonists and uses thereof RGENIX, INC. (US) 2020-06-02 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
US-20170066791-A1 LXR AGONISTS AND USES THEREOF INSPIRNA, INC. 2017-03-09 US disclosed
EP-3091970-A1 LXR AGONISTS AND USES THEREOF Rgenix, Inc. (US) 2016-11-16 EP disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 WO disclosed
WO-2015106164-A1 LXR AGONISTS AND USES THEREOF RGENIX, INC. (US) 2015-07-16 WO disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7560586-B2 Acid and ester compounds and methods of using the same SMITHKLINE BEECHAM CORPORATION (US) 2009-07-14 US disclosed
US-7365085-B2 Compounds and methods SMITHKLINE BEECHAM CORPORATION (US) 2008-04-29 US disclosed
EP-1575495-A2 COMPOUNDS AND METHODS SmithKline Beecham Corporation (US) 2005-09-21 EP disclosed
US-20050113580-A1 Amide compounds and methods of using the same SMITHKLINE BEECHAM CORP 2005-05-26 US disclosed
WO-2005023188-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-17 WO disclosed
WO-2005023196-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-03-17 WO disclosed
WO-2003082205-A2 COMPOUNDS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2003-10-09 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 (3 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-10669296-B2 LXR agonists and uses thereof NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 13/4885
US-20050113580-A1 Amide compounds and methods of using the same NR1H2, NR1H3, PPARA NR1H3 2/4885NR1H2 1/4885RXRA 12/4885
US-20170066791-A1 LXR AGONISTS AND USES THEREOF NR1H3, NR1H2, NR1H4 NR1H3 1/4885NR1H2 2/4885RXRA 13/4885

“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.