SCHEMBL7501059

SCHEMBL7501059

CS(=O)(=O)N1CC(NC(=O)c2nc3c(C(F)(F)F)cc(-c4ccoc4)cn3c2Cl)C1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.33
CNR2 P34972 2/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
KMT2A Q03164 1/20 0.33
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
PDK1 Q15118 1/20 0.32
TRPV1 Q8NER1 7/20 0.32
TYRO3 Q06418 1/20 0.32
MERTK Q12866 1/20 0.32
ERN1 O75460 1/20 0.32
MAPK3 P27361 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
RORC P51449 1/20 0.31
EPHX2 P34913 1/20 0.31

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
SCHEMBL7501114 0.89 GHSR (0.37) CNR1KMT2A
SCHEMBL7493612 0.88 HDAC4 (0.35) CNR1CNR2TRPV1TYRO3MERTK
SCHEMBL7496848 0.87 HDAC3 (0.34) KMT2ASMYD3
SCHEMBL3709595 0.86 HDAC4 (0.35) TRPV1TYRO3MERTKERN1
Hydrochloric Acid SCHEMBL3687760 0.85 HDAC4 (0.34) TRPV1TYRO3MERTKERN1
SCHEMBL3683699 0.85 HDAC4 (0.42) CNR1CNR2
SCHEMBL7496417 0.84 RIPK1 (0.38) CNR1CNR2TYRO3MERTKEPHX2
SCHEMBL3705573 0.83 F2R (0.39) TRPV1TYRO3MERTKEPHX2
SCHEMBL3786680 0.83 ATM (0.36) KMT2AERN1RORC
SCHEMBL7501903 0.83 GRIN2B (0.37) CNR1CDK2TRPV1TYRO3MERTK

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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections GLAXOSMITHKLINE LLC 2012-05-17 US disclosed
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections GLAXOSMITHKLINE LLC 2009-07-09 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 (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-20120121540-A1 Certain Nitrogen Containing Bicyclic Chemical Entities For Treating Viral Infections OAT, HAVCR2, CPS1 CNR1 524/4885CNR2 635/4885CCNE1 1108/4885
US-20090176778-A1 Certain nitrogen containing bicyclic chemical entities for treating viral infections OAT, HAVCR2, CPS1 CNR1 524/4885CNR2 635/4885CCNE1 1108/4885

“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.