SCHEMBL7516778

SCHEMBL7516778

CCCc1cn(CC)c(=O)n(CC)c1=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4D Q08499 5/20 0.35
PDE4A P27815 4/20 0.35
PDE4C Q08493 4/20 0.35
ADORA2B P29275 4/20 0.34
TNF P01375 1/20 0.33
LITAF Q99732 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MAPK8 P45983 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.32
SIRT1 Q96EB6 1/20 0.32
SIRT3 Q9NTG7 1/20 0.32
SIRT5 Q9NXA8 1/20 0.32
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
FPR1 P21462 1/20 0.30
FPR2 P25090 1/20 0.30

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
SCHEMBL8876423 0.75 KDM4E (0.42) ADORA2AADORA2BALDH1A1GAAHTT
SCHEMBL9802893 0.73 KMT2A (0.41) ADORA2APDE4BPDE4DPDE4APDE4C
SCHEMBL4145685 0.73 ADORA2A (0.39) ADORA2APDE4BPDE4DPDE4APDE4C
SCHEMBL13384442 0.70 GSK3A (0.34) ADORA2APDE4BPDE4DPDE4APDE4C
SCHEMBL27506471 0.70 POLB (0.39) ALDH1A1GAAHTTGSK3AGSK3B
SCHEMBL14968971 0.69 LMNA (0.46) ALDH1A1HTTMAPK8
SCHEMBL20369245 0.64 ALDH1A1 (0.42) ADORA2APDE4BPDE4DPDE4APDE4C
SCHEMBL13932146 0.64 PDE4A (0.49) PDE4BPDE4DPDE4APDE4CGSK3A
SCHEMBL23505982 0.63 GABRA5 (0.35) ADORA2APDE4BPDE4DPDE4APDE4C
SCHEMBL26820684 0.63 FFAR4 (0.34) ADORA2APDE4BPDE4DPDE4APDE4C

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 ADORA2A 2042/4885PDE4B 575/4885PDE4D 1168/4885

“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.