SCHEMBL782329

SCHEMBL782329

CC(C)(O)c1cn(-c2ccc(Br)cc2F)c(C(C)(C)c2c(Cl)cccc2Cl)n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 17/20 0.62
NR1H2 P55055 17/20 0.62
NR1H3 Q13133 17/20 0.62
NR1I2 O75469 2/20 0.62
PTGES O14684 1/20 0.36
SLC22A12 Q96S37 1/20 0.35
PTGFR P43088 1/20 0.33

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
SCHEMBL799660 0.84 RXRA (0.50) RXRANR1H2NR1H3NR1I2PTGES
SCHEMBL805144 0.80 RXRA (0.43) RXRANR1H2NR1H3NR1I2PTGES
SCHEMBL778922 0.80 GABRA2 (0.50) RXRANR1H2NR1H3NR1I2
SCHEMBL12821546 0.79 RXRA (0.80) RXRANR1H2NR1H3NR1I2
SCHEMBL12821545 0.79 RXRA (0.79) RXRANR1H2NR1H3NR1I2
SCHEMBL16407949 0.78 NR1H2 (0.89) RXRANR1H2NR1H3NR1I2
Bms-852927 SCHEMBL779963 0.77 NR1H2 (1.00) RXRANR1H2NR1H3NR1I2
SCHEMBL16407948 0.75 NR1H2 (0.89) RXRANR1H2NR1H3NR1I2
SCHEMBL19567526 0.74 NR1H2 (0.65) RXRANR1H2NR1H3NR1I2
SCHEMBL780880 0.74 NR1H2 (1.00) RXRANR1H2NR1H3NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
EP-2435410-B1 LXR MODULATORS EXELIXIS PATENT CO LLC (US) 2017-01-18 EP disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20160280661-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2016-09-29 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20150299136-A1 LXR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-22 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-20140163081-A1 LXR MODULATORS EXELIXIS PATENT COMPANY LLC (US) 2014-06-12 US disclosed
US-8618154-B2 LXR modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2013-12-31 US disclosed
EP-2435410-A2 LXR MODULATORS Exelixis Patent Company LLC (US) 2012-04-04 EP disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
US-20120071534-A1 LXR MODULATORS EXELIXIS, INC. 2012-03-22 US disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 WO disclosed
WO-2010138598-A2 LXR MODULATORS EXELIXIS, INC. (US) 2010-12-02 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 (4 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-20140163081-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 2/4885NR1H3 1/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 RXRA 10/4885NR1H2 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.