SCHEMBL2390552

SCHEMBL2390552

COC(=O)c1cc(OCc2ccccc2)cc(Oc2ccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 5/20 0.54
NR1H3 Q13133 4/20 0.54
RXRA P19793 3/20 0.54
AR P10275 2/20 0.39
S1PR1 P21453 2/20 0.35
S1PR5 Q9H228 2/20 0.35
KIT P10721 1/20 0.35
PRKD3 O94806 1/20 0.35
CDK7 P50613 1/20 0.35
JAK3 P52333 1/20 0.35
TNK2 Q07912 1/20 0.35
MGAT2 Q10469 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
RXFP1 Q9HBX9 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 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
SCHEMBL2265227 0.91 RXRA (0.63) NR1H2NR1H3RXRAS1PR1S1PR5
SCHEMBL2263549 0.89 RXRA (0.62) NR1H2NR1H3RXRAARS1PR1
SCHEMBL14184000 0.89 NR1H2 (0.71) NR1H2NR1H3RXRAARS1PR1
SCHEMBL2263886 0.88 RXRA (0.59) NR1H2NR1H3RXRAS1PR1S1PR5
SCHEMBL2266030 0.87 NR1H2 (0.58) NR1H2NR1H3RXRAARKDM4E
SCHEMBL2388661 0.85 RXRA (0.56) NR1H2NR1H3RXRAARS1PR1
SCHEMBL2262223 0.84 RXRA (0.50) NR1H2NR1H3RXRAARKDM4E
SCHEMBL2263400 0.84 NR1H2 (0.69) NR1H2NR1H3RXRAARMGAT2
SCHEMBL2388618 0.84 NR1H2 (0.56) NR1H2NR1H3RXRAARS1PR1
SCHEMBL2391137 0.84 RXRA (0.55) NR1H2NR1H3RXRAARS1PR1

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-8013001-B2 Modulators of LXR EXELIXIS, INC. (US) 2011-09-06 US claimed
US-20100056582-A1 Modulators of LXR X-CEPTOR THERAPEUTICS, INC. (US) 2010-03-04 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
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 NR1H2 1/4885NR1H3 3/4885RXRA 20/4885
US-20050080111-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885
US-20100056582-A1 Modulators of LXR NR1H2, NR1H3, NR1H4 NR1H2 1/4885NR1H3 2/4885RXRA 16/4885

“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.