SCHEMBL15580923

SCHEMBL15580923

[2H][C@@](N)(CS(C)(=O)=O)c1ccc(OC)c(OCC)c1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 20/20 0.57
PDE4A P27815 9/20 0.57
PDE4C Q08493 9/20 0.57
PDE4D Q08499 9/20 0.57
HTR2B P41595 1/20 0.45

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
SCHEMBL15580910 1.00 PDE4B (0.57) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15580962 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15580934 0.92 PDE4B (0.49) PDE4BPDE4APDE4CPDE4D
SCHEMBL15580932 0.88 PDE4B (0.50) PDE4BPDE4APDE4CPDE4D
SCHEMBL15580926 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL753579 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15869339 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15580915 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL15869362 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B
SCHEMBL302947 0.86 PDE4B (0.59) PDE4BPDE4APDE4CPDE4DHTR2B

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 8 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-9434689-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2016-09-06 US disclosed
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES AMGEN INC. 2015-09-17 US disclosed
US-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF AMGEN INC. 2015-07-02 US disclosed
US-9045417-B2 Isotopologues of isoindole derivatives CELGENE CORPORATION (US) 2015-06-02 US disclosed
US-8981117-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2015-03-17 US disclosed
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES CELGENE CORPORATION (US) 2014-07-10 US disclosed
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF CELGENE CORPORATION (US) 2014-03-20 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 (4 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-20150183739-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 PDE4B 1021/4885PDE4A 1248/4885PDE4C 1388/4885
US-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 PDE4B 1021/4885PDE4A 1248/4885PDE4C 1388/4885
US-20140194485-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 PDE4B 1306/4885PDE4A 1635/4885PDE4C 1991/4885
US-20150258063-A1 ISOTOPOLOGUES OF ISOINDOLE DERIVATIVES IDO1, CYP11B2, IDO2 PDE4B 1306/4885PDE4A 1635/4885PDE4C 1991/4885

“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.