SCHEMBL4904313

SCHEMBL4904313

CCNC(=O)Nc1cccc(-c2cccc(-c3cc(C(F)(F)F)c(C#N)c(=O)n3Cc3ccc(C)cc3C)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.42
NR1H2 P55055 3/20 0.42
NR1H3 Q13133 3/20 0.42
FGFR3 P22607 6/20 0.40
KDR P35968 6/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MCHR1 Q99705 2/20 0.39
PIK3R2 O00459 1/20 0.39
ITGB3 P05106 2/20 0.39
ITGAV P06756 2/20 0.39
CDK8 P49336 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CCR2 P41597 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
SCHEMBL4902072 0.91 RXRA (0.46) RXRANR1H2NR1H3NPC1RAB9A
SCHEMBL4901943 0.90 RXRA (0.40) RXRANR1H2NR1H3FGFR3KDR
SCHEMBL4902420 0.89 RXRA (0.39) RXRANR1H2NR1H3FGFR3KDR
SCHEMBL14184090 0.89 RXRA (0.44) RXRANR1H2NR1H3TRPV1KDM4E
SCHEMBL4905290 0.88 RXRA (0.43) RXRANR1H2NR1H3MCHR1KDM4E
SCHEMBL4901910 0.88 RXRA (0.43) RXRANR1H2NR1H3CDK8CCR2
SCHEMBL4899271 0.87 NR1H2 (0.44) RXRANR1H2NR1H3MCHR1CCR2
SCHEMBL4905068 0.85 RXRA (0.42) RXRANR1H2NR1H3CDK8KDM4E
SCHEMBL4905525 0.84 NR1H2 (0.46) RXRANR1H2NR1H3KDM4E
SCHEMBL2268418 0.84 FGFR3 (0.43) RXRANR1H2NR1H3FGFR3KDR

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 5 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 claimed
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

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.