SCHEMBL15580995

SCHEMBL15580995

[2H]C([2H])([2H])S(=O)(=O)C[C@]([2H])(c1ccc(OC)c(C)c1)N1Cc2cccc(NC(=O)C3CC3)c2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 3/20 0.38
KDM4E B2RXH2 2/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
POLB P06746 1/20 0.38
GAA P10253 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MEN1 O00255 3/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
PDE4D Q08499 3/20 0.36
HTR2B P41595 1/20 0.36

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
SCHEMBL15580987 0.95 GAA (0.41) KMT2AHSD17B10MAPK1KDM4EUSP2
SCHEMBL15580988 0.94 HTT (0.39) KMT2AHSD17B10MAPK1KDM4EUSP2
Dovramilast SCHEMBL15580937 0.90 PDE4B (0.47) MAPK1TSHRPDE4APDE4BPDE4C
SCHEMBL15580990 0.90 GAA (0.40) KMT2AHSD17B10MAPK1KDM4EUSP2
SCHEMBL15580992 0.89 HTT (0.40) KMT2AHSD17B10MAPK1KDM4EUSP2
SCHEMBL677353 0.86 PDE4B (0.46) KMT2AHSD17B10MAPK1KDM4EUSP2
SCHEMBL14924755 0.86 PDE4B (0.46) KMT2AHSD17B10MAPK1KDM4EUSP2
Dovramilast SCHEMBL15580927 0.86 PDE4B (0.52) MAPK1TSHRPDE4APDE4BPDE4C
SCHEMBL15580983 0.85 GAA (0.41) KMT2AHSD17B10MAPK1KDM4EUSP2
Dovramilast SCHEMBL15580944 0.84 PDE4B (0.46) MAPK1KDM4ETSHRLMNAPDE4A

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-8981117-B2 Processes for the preparation of isoindole compounds and isotopologues thereof CELGENE CORPORATION (US) 2015-03-17 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 (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-20140081032-A1 PROCESSES FOR THE PREPARATION OF ISOINDOLE COMPOUNDS AND ISOTOPOLOGUES THEREOF HPD, DHPS, IDH2 KMT2A 2405/4885HSD17B10 177/4885MAPK1 4050/4885

“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.