SCHEMBL2997265

SCHEMBL2997265

CCOc1cc(C(CCOC)N2C(=O)c3cscc3C2=O)ccc1OC

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 18/20 0.57
PDE4C Q08493 17/20 0.57
PDE4A P27815 13/20 0.57
PDE4D Q08499 13/20 0.57
TNF P01375 2/20 0.52

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
SCHEMBL2987098 0.89 TNF (0.67) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL7432712 0.89 PDE4A (0.71) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL2992227 0.85 TNF (0.67) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL7436772 0.84 TNF (0.67) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL2992015 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL2996872 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DTNF
SCHEMBL28453492 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4D
SCHEMBL28456696 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4D
SCHEMBL28462054 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4D
SCHEMBL2997580 0.84 PDE4B (0.80) PDE4BPDE4CPDE4APDE4DTNF

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-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US claimed
US-8466191-B2 Pyrroline derivatives against cell releasing tumor necrosis factor, preparation methods and uses thereof ZHANG HESHENG (CN) 2013-06-18 US disclosed
US-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF ZHANG HESHENG 2010-07-15 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-20100179189-A1 PYRROLINE DERIVATIVES AGAINST CELL RELEASING TUMOR NECROSIS FACTOR, PREPARATION METHODS AND USES THEREOF TNF, IL1B, NOS1 PDE4B 2498/4885PDE4C 2510/4885PDE4A 2306/4885

“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.