SCHEMBL7516771

SCHEMBL7516771

CCc1c(C)c(=O)n(CC)c(=O)n1CC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 7/20 0.37
ADORA2A P29274 5/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
SIRT5 Q9NXA8 1/20 0.35
GSK3A P49840 2/20 0.33
GSK3B P49841 2/20 0.33
LGMN Q99538 1/20 0.33
MAPK8 P45983 1/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 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
SCHEMBL8456337 0.81 GSK3B (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL12900999 0.74 MAPT (0.38) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL19601231 0.70 LGMN (0.47) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL2446004 0.69 GSK3B (0.48) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL339514 0.69 SIRT2 (0.33) ADORA2BADORA2ASIRT2SIRT1SIRT3
SCHEMBL17595098 0.67 LGMN (0.41) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL13492907 0.67 ADORA2A (0.36) ADORA2AKDM4EALDH1A1LMNAMAPT
SCHEMBL10254094 0.65 LGMN (0.33) ADORA2BADORA2AGSK3AGSK3BLGMN
SCHEMBL13904467 0.65 ADORA2B (0.33) ADORA2BADORA2AKDM4E
SCHEMBL12660972 0.65 F2 (0.40) ADORA2BGSK3AGSK3BKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1080071-A4 A PROCESS FOR PRODUCING AN ORGANIC TRISULFIDE COMPOUND PHILLIPS PETROLEUM CO (US) 2002-06-26 EP claimed
EP-1080071-A1 A PROCESS FOR PRODUCING AN ORGANIC TRISULFIDE COMPOUND Phillips Petroleum Company (US) 2001-03-07 EP claimed
WO-1999059965-A1 A PROCESS FOR PRODUCING AN ORGANIC TRISULFIDE COMPOUND PHILLIPS PETROLEUM COMPANY (US) 1999-11-25 WO claimed
EP-2922859-B1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIV CORK (IE) 2021-05-05 EP disclosed
US-9822137-B2 Phosphonucleosides useful in the treatment of viral disorders UNIVERSITY COLLEGE CORK (IE) 2017-11-21 US disclosed
US-20150291640-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2015-10-15 US disclosed
EP-2922859-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS University College Cork (IE) 2015-09-30 EP disclosed
WO-2014079903-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS UNIVERSITY COLLEGE CORK (IE) 2014-05-30 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-20150291640-A1 PHOSPHONUCLEOSIDES USEFUL IN THE TREATMENT OF VIRAL DISORDERS ENTPD5, PNP, MTAP ADORA2B 2122/4885ADORA2A 2042/4885PDE4A 588/4885

“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.