SCHEMBL780788

SCHEMBL780788

CCOC(=O)c1cn(-c2ccc(Br)cc2)c(C(C)(C)c2ccccc2F)n1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 10/20 0.49
GABRB2 P47870 10/20 0.49
RXRA P19793 3/20 0.46
NR1H2 P55055 3/20 0.46
NR1H3 Q13133 3/20 0.46
MLYCD O95822 2/20 0.43
LMNA P02545 1/20 0.39
NFKB1 P19838 1/20 0.39
RAB9A P51151 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PTGS2 P35354 1/20 0.39
TGFBR1 P36897 1/20 0.38
NR1I2 O75469 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL3584615 0.79 GABRA2 (0.61) GABRA2GABRB2MLYCDLMNANFKB1
SCHEMBL799658 0.79 RXRA (0.47) RXRANR1H2NR1H3PTGS2NR1I2
SCHEMBL3586166 0.78 GABRA2 (0.56) GABRA2GABRB2MLYCDLMNANFKB1
SCHEMBL780854 0.76 RXRA (0.61) RXRANR1H2NR1H3PTGS2NR1I2
SCHEMBL13437658 0.75 GABRA2 (0.83) GABRA2GABRB2MLYCDLMNANFKB1
SCHEMBL30707615 0.75 GABRA2 (0.67) GABRA2GABRB2MLYCDLMNARAB9A
SCHEMBL3587054 0.73 GABRA2 (0.58) GABRA2GABRB2NR1H2MLYCDLMNA
SCHEMBL13437646 0.73 GABRA2 (0.83) GABRA2GABRB2MLYCDPTGS2
SCHEMBL778922 0.72 GABRA2 (0.50) GABRA2GABRB2RXRANR1H2NR1H3
SCHEMBL3572659 0.72 GABRA2 (0.60) GABRA2GABRB2PTGS2

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 12 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-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-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
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 GABRA2 705/4885GABRB2 816/4885RXRA 10/4885
US-20120071534-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 GABRA2 705/4885GABRB2 816/4885RXRA 10/4885
US-20150299136-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 GABRA2 705/4885GABRB2 816/4885RXRA 10/4885
US-20160280661-A1 LXR MODULATORS NR1H3, NR1H2, NR1H4 GABRA2 705/4885GABRB2 816/4885RXRA 10/4885

“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.