SCHEMBL15869360

SCHEMBL15869360

CCOc1cc([C@@H](CS(C)(=O)=O)[15N]2Cc3cccc(N)c3C2=O)ccc1OC

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.69
PDE4C Q08493 16/20 0.69
PDE4A P27815 10/20 0.69
PDE4D Q08499 10/20 0.69
HTR2B P41595 1/20 0.53

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
SCHEMBL537524 1.00 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537141 1.00 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15862397 1.00 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL537296 1.00 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL15869365 1.00 PDE4B (0.69) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL14924750 0.93 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3554030 0.91 PDE4B (0.59) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3550822 0.91 PDE4B (0.60) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL2966977 0.90 PDE4B (0.56) PDE4BPDE4CPDE4APDE4DHTR2B
SCHEMBL3113890 0.89 PDE4B (0.58) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9642836-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2017-05-09 US disclosed
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES AMGEN INC. 2015-09-17 US disclosed
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 (2 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
US-20150258063-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.