SCHEMBL2389217

SCHEMBL2389217

CCCCCCC(F)(F)c1cc(-c2ccc(-c3cccc(S(=O)(=O)CC)c3)s2)n(Cc2ccc(F)cc2F)c(=O)c1C#N

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.70
NR1H2 P55055 5/20 0.70
NR1H3 Q13133 5/20 0.70
BRD4 O60885 2/20 0.35
RIPK3 Q9Y572 1/20 0.31
MAPK14 Q16539 1/20 0.31
KCNK3 O14649 2/20 0.31
ALDH1A1 P00352 2/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
KCNH2 Q12809 1/20 0.30
KDM4E B2RXH2 1/20 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
SCHEMBL2390225 0.94 RXRA (0.80) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2393537 0.90 RXRA (0.70) RXRANR1H2NR1H3RIPK3KCNK3
SCHEMBL2388722 0.90 NR1H2 (0.86) RXRANR1H2NR1H3BRD4RIPK3
SCHEMBL20193373 0.89 RXRA (0.78) RXRANR1H2NR1H3BRD4RIPK3
SCHEMBL2389772 0.88 RXRA (0.72) RXRANR1H2NR1H3BRD4RIPK3
SCHEMBL2389534 0.84 RXRA (0.56) RXRANR1H2NR1H3MAPK14KCNK3
SCHEMBL2387937 0.83 RXRA (0.78) RXRANR1H2NR1H3BRD4MAPK14
SCHEMBL2390377 0.83 NR1H2 (1.00) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2387653 0.82 NR1H2 (0.74) RXRANR1H2NR1H3BRD4ALDH1A1
SCHEMBL2388491 0.82 NR1H2 (0.73) RXRANR1H2NR1H3BRD4ALDH1A1

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 11 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
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.