SCHEMBL2389608

SCHEMBL2389608

Cc1cc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)cnc1S(C)(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.73
NR1H2 P55055 5/20 0.73
NR1H3 Q13133 5/20 0.73
ALDH1A1 P00352 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34
MAPK14 Q16539 3/20 0.33
PKM P14618 1/20 0.33
PKLR P30613 1/20 0.33
GRIN1 Q05586 2/20 0.32
GRIN2B Q13224 2/20 0.32
PRF1 P14222 4/20 0.32
FLT3 P36888 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32
AR P10275 1/20 0.31

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
SCHEMBL2387404 0.93 RXRA (0.67) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2387545 0.93 RXRA (0.62) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2389883 0.92 RXRA (0.64) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2389288 0.90 RXRA (0.70) RXRANR1H2NR1H3MAPK14PKM
SCHEMBL2389413 0.89 RXRA (0.60) RXRANR1H2NR1H3ALDH1A1POLB
SCHEMBL2391016 0.89 RXRA (0.68) RXRANR1H2NR1H3MAPK14PRF1
SCHEMBL2389994 0.89 RXRA (0.68) RXRANR1H2NR1H3PRF1FLT3
SCHEMBL2389962 0.88 RXRA (0.67) RXRANR1H2NR1H3MAPK14PKM
SCHEMBL2389684 0.88 RXRA (0.76) RXRANR1H2NR1H3ALDH1A1KMT2A
SCHEMBL2391216 0.87 RXRA (0.63) RXRANR1H2NR1H3ALDH1A1POLB

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 14 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
EP-1773337-A2 MODULATORS OF NUCLEAR RECEPTORS Exelixis, Inc. (US) 2007-04-18 EP 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
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.