SCHEMBL2389667

SCHEMBL2389667

N#Cc1c(C(F)(F)F)cc(-c2cc(Br)co2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.59
NR1H2 P55055 3/20 0.59
NR1H3 Q13133 3/20 0.59
MAPK14 Q16539 5/20 0.36
ALDH1A1 P00352 7/20 0.35
KMT2A Q03164 3/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 6/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 2/20 0.32
TBXA2R P21731 1/20 0.32
ADORA2A P29274 1/20 0.31
PKM P14618 3/20 0.31
PKLR P30613 1/20 0.31
GRM2 Q14416 1/20 0.31
MEN1 O00255 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HPGD P15428 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
SCHEMBL2389955 0.91 RXRA (0.49) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2389367 0.85 RXRA (0.60) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2387127 0.85 RXRA (0.60) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2386574 0.85 RXRA (0.58) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2386376 0.84 RXRA (0.57) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2392120 0.83 RXRA (0.58) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL14184031 0.82 RXRA (0.58) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2389388 0.82 RXRA (0.63) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2386995 0.82 RXRA (0.56) RXRANR1H2NR1H3MAPK14ALDH1A1
SCHEMBL2386402 0.82 RXRA (0.60) RXRANR1H2NR1H3MAPK14ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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.