SCHEMBL15580983

SCHEMBL15580983

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.41
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PDE4A P27815 3/20 0.40
PDE4B Q07343 3/20 0.40
PDE4C Q08493 3/20 0.40
PDE4D Q08499 3/20 0.40
HTR2B P41595 1/20 0.40
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HSD17B10 Q99714 2/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 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
SCHEMBL15580992 0.96 HTT (0.40) GAAHTTNPSR1PDE4APDE4B
SCHEMBL677353 0.92 PDE4B (0.46) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL14924755 0.92 PDE4B (0.46) GAAPDE4APDE4BPDE4CPDE4D
SCHEMBL15580990 0.92 GAA (0.40) GAAHTTNPSR1PDE4APDE4B
Dovramilast SCHEMBL15580930 0.90 PDE4B (0.52) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL15580988 0.88 HTT (0.39) GAAHTTNPSR1KMT2AMAPK1
SCHEMBL15580987 0.88 GAA (0.41) GAAHTTNPSR1PDE4APDE4B
Dovramilast SCHEMBL15580940 0.86 PDE4B (0.49) PDE4APDE4BPDE4CPDE4DHTR2B
SCHEMBL15580995 0.85 KMT2A (0.38) GAAHTTNPSR1PDE4APDE4B
SCHEMBL2031569 0.84 PDE4B (0.46) GAAPDE4APDE4BPDE4CPDE4D

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 GAA 1258/4885HTT 138/4885NPSR1 1987/4885

“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.