SCHEMBL15869366

SCHEMBL15869366

CCOc1cc([C@@H]([13CH2]S([13CH3])(=O)=O)N2Cc3cccc([N+](=O)[O-])c3C2=O)ccc1OC

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 19/20 0.56
PDE4C Q08493 15/20 0.56
PDE4A P27815 10/20 0.56
PDE4D Q08499 10/20 0.56
HTR2B P41595 1/20 0.49
TNF P01375 1/20 0.46

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
SCHEMBL1585249 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869361 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL17085033 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1609809 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15862507 1.00 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869358 0.90 PDE4B (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1826156 0.87 TNF (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL1826154 0.87 TNF (0.48) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869360 0.87 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15862397 0.87 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045417-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2015-06-02 US disclosed
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2014-07-10 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-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 PDE4B 1306/4885PDE4C 1991/4885PDE4A 1635/4885

“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.