SCHEMBL2391013

SCHEMBL2391013

N#Cc1c(C(F)(F)F)cc(-c2ccc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.72
NR1H2 P55055 3/20 0.72
NR1H3 Q13133 3/20 0.72
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 6/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
RIPK3 Q9Y572 3/20 0.36
RXRG P48443 1/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 3/20 0.36
LMNA P02545 1/20 0.34
AR P10275 1/20 0.33
HPGD P15428 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 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
SCHEMBL2388788 0.91 RXRA (0.66) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2389647 0.91 RXRA (0.68) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2390516 0.91 RXRA (0.63) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2387083 0.90 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL14214400 0.90 RXRA (0.84) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2387450 0.89 RXRA (0.61) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2389275 0.88 RXRA (0.60) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2387455 0.88 RXRA (0.60) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL4899639 0.88 RXRA (0.74) RXRANR1H2NR1H3ALDH1A1KDM4E
SCHEMBL2262731 0.88 RXRA (0.83) RXRANR1H2NR1H3ALDH1A1KDM4E

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-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 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-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.