SCHEMBL2988010

SCHEMBL2988010

COc1cc(C(CC(N)=O)N2C(=O)c3cscc3C2=O)ccc1OCc1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNF P01375 15/20 0.69
PDE4A P27815 7/20 0.69
PDE4B Q07343 7/20 0.69
PDE4C Q08493 7/20 0.69
PDE4D Q08499 7/20 0.69

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
SCHEMBL6693227 0.92 TNF (0.82) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL15015430 0.91 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2999731 0.89 TNF (0.56) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL15015417 0.89 TNF (0.68) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL15015441 0.87 PDE4A (0.76) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2990442 0.87 TNF (0.53) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL3001856 0.86 TNF (0.52) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL6689080 0.84 TNF (0.81) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2996872 0.84 PDE4B (0.80) TNFPDE4APDE4BPDE4CPDE4D
SCHEMBL2994300 0.84 PDE4A (0.67) TNFPDE4APDE4BPDE4CPDE4D

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 TNF 1/4885PDE4A 2306/4885PDE4B 2498/4885

“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.