SCHEMBL2989776

SCHEMBL2989776

CNc1sc(-c2ccc(OC)c(OC3CCCC3)c2)c2c1C(=O)N(CCC(=O)OC)C2=O

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 16/20 0.44
PDE4A P27815 13/20 0.44
PDE4C Q08493 12/20 0.44
PDE4D Q08499 12/20 0.44
FFAR4 Q5NUL3 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL2985501 0.92 PDE4B (0.43) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2987999 0.90 PDE4B (0.48) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL2986800 0.83 PDE4B (0.46) PDE4BPDE4APDE4CPDE4D
SCHEMBL2996793 0.80 PDE4B (0.42) PDE4BPDE4APDE4CPDE4D
SCHEMBL2997216 0.77 CASP3 (0.42) PDE4BPDE4APDE4CPDE4DPOLB
SCHEMBL28450908 0.72 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL29623507 0.72 PDE4B (0.52) PDE4BPDE4APDE4CPDE4D
SCHEMBL2097509 0.71 PDE4B (0.56) PDE4BPDE4APDE4CPDE4DFFAR4
SCHEMBL2994679 0.71 LMNA (0.44) POLB
SCHEMBL17003832 0.71 PDE4D (0.52) PDE4BPDE4APDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 2498/4885PDE4A 2306/4885PDE4C 2510/4885

“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.