SCHEMBL3529302

SCHEMBL3529302

CS(=O)(=O)NCC1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.36
TGFBR1 P36897 9/20 0.35
DPP4 P27487 1/20 0.35
PREP P48147 1/20 0.35
FAP Q12884 1/20 0.35
SLC2A1 P11166 1/20 0.34
GSK3B P49841 1/20 0.32
XPNPEP1 Q9NQW7 1/20 0.32
DDR1 Q08345 2/20 0.32
KCNH2 Q12809 1/20 0.32
HTR4 Q13639 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
EPHX1 P07099 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL27813567 0.87 TGFBR1 (0.36) TGFBR1DPP4PREPFAP
SCHEMBL4007514 0.79 CACNA1H (0.38) KCNH2SIRT2SIRT1SIRT3EPHX1
SCHEMBL3522643 0.78 CKS1B (0.43) KCNH2SIRT2SIRT1SIRT3EPHX1
SCHEMBL4194567 0.75 IDO1 (0.33)
SCHEMBL124646 0.74 TGFBR1 (0.55) TGFBR1
SCHEMBL5560105 0.74 ENPP2 (0.32)
SCHEMBL26330668 0.73 MGLL (0.64) MGLL
SCHEMBL6485343 0.73 DPP8 (0.32)
SCHEMBL4014367 0.72 SIRT2 (0.40) SIRT2SIRT1SIRT3
SCHEMBL5995181 0.72 DPP4 (0.40) MGLLTGFBR1DPP4PREPFAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7645774-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2010-01-12 US disclosed
US-7071213-B2 Cannabinoid receptor ligands SCHERING CORPORATION (US) 2006-07-04 US disclosed
US-20050282861-A1 Cannabinoid receptor ligands MERCK SHARP & DOHME CORP. 2005-12-22 US disclosed
EP-1444203-A1 CANNABINOID RECEPTOR LIGANDS Schering Corporation (US) 2004-08-11 EP disclosed
US-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases SCHERING CORPORATION 2004-01-15 US disclosed
WO-2003042174-A1 CANNABINOID RECEPTOR LIGANDS SCHERING CORPORATION (US) 2003-05-22 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 (2 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-20040010013-A1 Piperidine derivatives used in treating cancer, inflammatory diseases, immunomodulatory diseases, or respiratory diseases IL5, IL2, TLR1 MGLL 3684/4885TGFBR1 782/4885DPP4 985/4885
US-20050282861-A1 Cannabinoid receptor ligands CNR1, CNR2, GPR18 MGLL 242/4885TGFBR1 662/4885DPP4 2557/4885

“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.