SCHEMBL2386459

SCHEMBL2386459

CCOc1ccc(-c2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)s2)cc1C#N

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.65
NR1H2 P55055 4/20 0.65
NR1H3 Q13133 4/20 0.65
RET P07949 2/20 0.39
MAPK14 Q16539 3/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
AR P10275 3/20 0.36
HSD17B1 P14061 1/20 0.35
HSD17B2 P37059 1/20 0.35
CYP2C9 P11712 1/20 0.34
S1PR1 P21453 1/20 0.34
RIPK3 Q9Y572 1/20 0.33
ESRRA P11474 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
SCHEMBL2389052 0.94 RXRA (0.67) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2390920 0.92 RXRA (0.67) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2389274 0.91 RXRA (0.65) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2389801 0.91 RXRA (0.65) RXRANR1H2NR1H3RETMAPK14
SCHEMBL4904377 0.90 RXRA (0.55) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2387945 0.89 NR1H2 (0.71) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2389400 0.89 RXRA (0.64) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2389511 0.89 RXRA (0.61) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2389050 0.88 RXRA (0.66) RXRANR1H2NR1H3RETMAPK14
SCHEMBL2386380 0.87 RXRA (0.69) RXRANR1H2NR1H3MAPK14RIPK3

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-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
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
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.