SCHEMBL6190255

SCHEMBL6190255

CCCn1c(=O)n(CCC(=O)C(=O)OCC)c(=O)c2c1ncn2C

nearest known ligand 0.76

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 6/20 0.76
▸ PDE4A P27815 6/20 0.67
▸ PDE4B Q07343 6/20 0.67
▸ PDE4C Q08493 6/20 0.67
▸ PDE4D Q08499 6/20 0.67
▸ ADORA2A P29274 4/20 0.67
▸ ADORA2B P29275 4/20 0.67
▸ CYP1A2 P05177 2/20 0.67
▸ PMP22 Q01453 2/20 0.67
▸ CYP3A4 P08684 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ HSD17B10 Q99714 1/20 0.67
▸ USP2 O75604 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ NFKB1 P19838 1/20 0.47
▸ ACHE P22303 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ RXFP1 Q9HBX9 1/20 0.47

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
SCHEMBL6384593 0.86 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL316911 0.82 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL8861573 0.80 TNF (0.82) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381243 0.77 PDE4A (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381262 0.76 PDE4A (0.91) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL5424162 0.75 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381251 0.75 PDE4A (0.89) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL17682312 0.74 TNF (1.00) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL315740 0.74 ADORA2B (0.82) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL21381247 0.74 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986561-B1 COMPOUNDS FOR INHIBITION OF CERAMIDE-MEDIATED SIGNAL TRANSDUCTION UNIV CALIFORNIA (US) 2005-07-27 — — EP disclosed
US-6562819-B2 Antiinflammatory agents; antiproliferative agents THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2003-05-13 — — US disclosed
US-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-11-07 — — US disclosed
US-6323201-B1 ANTIINFLAMMATORY AGENTS, ANTIPROLIFERATION AGENTS AND ENZYME INHIBITORS OF PHOSPHODIESTERASE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-27 — — 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 (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-20020165202-A1 Compounds for inhibition of ceramide-mediated signal transduction SMPD1, CERT1, SMPD3 TNF 13/4885PDE4A 37/4885PDE4B 43/4885

“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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