SCHEMBL3656731

SCHEMBL3656731

CCNS(=O)(=O)C(C)(C)C(=O)Nc1cccc(C(F)(F)F)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 1/20 0.51
▸ TAS2R14 Q9NYV8 1/20 0.43
▸ CLK4 Q9HAZ1 9/20 0.43
▸ ACVR1 Q04771 8/20 0.43
▸ GSK3A P49840 6/20 0.43
▸ GSK3B P49841 6/20 0.43
▸ CDK8 P49336 4/20 0.42
▸ MST1R Q04912 2/20 0.42
▸ TYRO3 Q06418 1/20 0.42
▸ KIT P10721 1/20 0.42
▸ SRPK1 Q96SB4 3/20 0.42
▸ AURKA O14965 1/20 0.42
▸ PRKX P51817 1/20 0.42
▸ PRKG1 Q13976 1/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.42
▸ GRM5 P41594 2/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ HIPK4 Q8NE63 4/20 0.40
▸ FLT3 P36888 3/20 0.40
▸ CSNK2A1 P68400 3/20 0.40

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
SCHEMBL3656381 0.90 RORC (0.48) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL3658426 0.86 RORC (0.48) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1621561 0.83 RORC (0.51) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1621426 0.82 RORC (0.49) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1464507 0.81 TAS2R14 (0.52) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1621558 0.80 RORC (0.53) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1621429 0.80 RORC (0.48) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1464871 0.78 CNR2 (0.55) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1464360 0.78 CNR2 (0.50) RORCTAS2R14CLK4ACVR1GSK3A
SCHEMBL1464304 0.78 CNR2 (0.50) RORCTAS2R14CLK4ACVR1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US claimed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 — — EP claimed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 — — US claimed
EP-2217565-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2010-08-18 — — EP claimed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 — — WO claimed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
US-8546563-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-10-01 — — US disclosed
EP-2217565-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-05-22 — — EP disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 — — US disclosed
US-20100331304-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-12-30 — — US disclosed
WO-2009061652-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-14 — — 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-20100331304-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 RORC 246/4885TAS2R14 1625/4885CLK4 3838/4885

“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.

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