SCHEMBL2389385

SCHEMBL2389385

N#Cc1c(C(F)(F)F)cc(-c2cccc(-c3ccc(CC(=O)O)cc3)c2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 11/20 0.65
NR1H2 P55055 3/20 0.65
NR1H3 Q13133 3/20 0.65
RXRG P48443 8/20 0.47
RXRB P28702 7/20 0.47
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
MAPK14 Q16539 3/20 0.37
MCHR1 Q99705 1/20 0.36
KCNK3 O14649 1/20 0.36
PTGER2 P43116 1/20 0.35
PPARG P37231 1/20 0.35

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
SCHEMBL2388319 0.94 RXRA (0.64) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL2386413 0.94 RXRA (0.70) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL2390089 0.93 RXRA (0.67) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL14214340 0.90 RXRA (0.75) RXRANR1H2NR1H3KDM4EMAPK14
SCHEMBL2389916 0.90 RXRA (0.63) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL5610677 0.88 RXRA (0.65) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL2387822 0.87 RXRA (0.79) RXRANR1H2NR1H3RXRGRXRB
SCHEMBL2392062 0.87 RXRA (0.63) RXRANR1H2NR1H3MCHR1KCNK3
SCHEMBL2389509 0.87 RXRA (0.63) RXRANR1H2NR1H3KDM4EMAPK14
Dimethylamine SCHEMBL5821096 0.87 RXRA (0.63) RXRANR1H2NR1H3MCHR1KCNK3

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
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 WO claimed
WO-2006025979-A2 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS, INC. (US) 2006-03-09 WO 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
WO-2006025979-A9 MODULATORS OF NUCLEAR RECEPTORS EXELIXIS INC (US) 2006-04-20 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.