SCHEMBL4904847

SCHEMBL4904847

COc1ccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(F)cc3F)c2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.66
NR1H2 P55055 3/20 0.66
NR1H3 Q13133 3/20 0.66
RIPK3 Q9Y572 1/20 0.41
ERAP1 Q9NZ08 1/20 0.40
MAPT P10636 1/20 0.40
ATM Q13315 1/20 0.40
MAPK14 Q16539 4/20 0.39
PIM1 P11309 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
NR3C1 P04150 1/20 0.37
PGR P06401 1/20 0.37
NR3C2 P08235 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
AR P10275 1/20 0.37
TNKS O95271 1/20 0.37

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
SCHEMBL2387810 0.94 RXRA (0.69) RXRANR1H2NR1H3RIPK3ERAP1
SCHEMBL14214340 0.87 RXRA (0.75) RXRANR1H2NR1H3RIPK3MAPT
SCHEMBL2386380 0.87 RXRA (0.69) RXRANR1H2NR1H3RIPK3MAPT
SCHEMBL2390043 0.87 RXRA (0.57) RXRANR1H2NR1H3RIPK3MAPT
SCHEMBL2385106 0.86 RXRA (0.61) RXRANR1H2NR1H3RIPK3MAPT
SCHEMBL4897364 0.86 NR1H2 (0.48) RXRANR1H2NR1H3ERAP1MAPT
SCHEMBL2390432 0.86 RXRA (0.61) RXRANR1H2NR1H3RIPK3MAPK14
SCHEMBL2391504 0.86 RXRA (0.61) RXRANR1H2NR1H3MAPTMAPK14
SCHEMBL5793484 0.85 RXRA (0.70) RXRANR1H2NR1H3MAPTMAPK14
SCHEMBL2387495 0.85 NR1H2 (0.73) RXRANR1H2NR1H3RIPK3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.