SCHEMBL2389014

SCHEMBL2389014

N#Cc1c(C(F)(F)F)cc(-c2ccc(-c3cccnc3)s2)n(Cc2ccc(F)cc2F)c1=O

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 5/20 0.72
RXRA P19793 4/20 0.72
NR1H2 P55055 4/20 0.72
RIPK3 Q9Y572 2/20 0.39
DPP4 P27487 1/20 0.39
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
GAA P10253 2/20 0.36
HPGD P15428 2/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
CYP11B2 P19099 1/20 0.36
SQOR Q9Y6N5 1/20 0.35
KCNA5 P22460 1/20 0.35
KCNH2 Q12809 1/20 0.35
AR P10275 3/20 0.35
GNRHR P30968 1/20 0.34
NR1D1 P20393 1/20 0.34
GLA P06280 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL2390610 0.91 RXRA (0.70) NR1H3RXRANR1H2RIPK3DPP4
SCHEMBL2389277 0.90 RXRA (0.73) NR1H3RXRANR1H2RIPK3KDM4E
SCHEMBL14214290 0.90 RXRA (0.81) NR1H3RXRANR1H2KDM4EALDH1A1
SCHEMBL2390437 0.89 RXRA (0.58) NR1H3RXRANR1H2RIPK3DPP4
SCHEMBL2386431 0.88 RXRA (0.77) NR1H3RXRANR1H2KDM4EALDH1A1
SCHEMBL2387483 0.88 RXRA (0.63) NR1H3RXRANR1H2RIPK3KDM4E
SCHEMBL2388320 0.87 RXRA (0.79) NR1H3RXRANR1H2KDM4EALDH1A1
SCHEMBL2390386 0.87 RXRA (0.73) NR1H3RXRANR1H2RIPK3KDM4E
SCHEMBL2389968 0.86 RXRA (0.72) NR1H3RXRANR1H2RIPK3KDM4E
SCHEMBL5597940 0.86 RXRA (0.74) NR1H3RXRANR1H2KDM4EALDH1A1

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 15 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-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 NR1H3 3/4885RXRA 20/4885NR1H2 1/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H3 2/4885RXRA 16/4885NR1H2 1/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H3 2/4885RXRA 16/4885NR1H2 1/4885

“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.