SCHEMBL2389548

SCHEMBL2389548

CS(=O)(=O)c1ccc(-c2coc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cn1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.56
NR1H2 P55055 4/20 0.56
NR1H3 Q13133 4/20 0.56
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.33
LRRK2 Q5S007 1/20 0.32
ALDH1A1 P00352 3/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 2/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 1/20 0.32
HTT P42858 1/20 0.32
RIPK3 Q9Y572 2/20 0.31
MAPK14 Q16539 3/20 0.31
DDR1 Q08345 2/20 0.31
POLB P06746 1/20 0.31
HDAC1 Q13547 2/20 0.30
HDAC8 Q9BY41 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30

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
SCHEMBL2390666 0.89 RXRA (0.59) RXRANR1H2NR1H3PTGS2ALDH1A1
SCHEMBL2389388 0.89 RXRA (0.63) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL2389061 0.88 RXRA (0.54) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL2389124 0.88 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2391074 0.88 RXRA (0.57) RXRANR1H2NR1H3PTGS2PTGS1
SCHEMBL2389190 0.87 RXRA (0.53) RXRANR1H2NR1H3
SCHEMBL2388697 0.86 RXRA (0.55) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2386376 0.85 RXRA (0.57) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2387835 0.85 RXRA (0.62) RXRANR1H2NR1H3PTGS2LRRK2
SCHEMBL2389684 0.85 RXRA (0.76) RXRANR1H2NR1H3ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US claimed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US claimed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US claimed
US-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 US disclosed
US-7482366-B2 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2009-01-27 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
US-20080119488-A1 Modulators Of Nuclear Receptors EXELIXIS, INC. (US) 2008-05-22 US disclosed
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO disclosed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO disclosed
US-20050080111-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2005-04-14 US 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-20080119488-A1 Modulators Of Nuclear Receptors NR1H2, NR0B1, NR1H3 RXRA 20/4885NR1H2 1/4885NR1H3 3/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 1/4885NR1H3 2/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 RXRA 16/4885NR1H2 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.