SCHEMBL15580988

SCHEMBL15580988

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KMT2A Q03164 4/20 0.38
HSD17B10 Q99714 3/20 0.38
MAPK1 P28482 3/20 0.38
POLB P06746 3/20 0.38
USP2 O75604 2/20 0.38
KDM4E B2RXH2 2/20 0.38
TSHR P16473 2/20 0.38
GAA P10253 2/20 0.38
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 3/20 0.37
EPHX2 P34913 3/20 0.37
HPGD P15428 1/20 0.36
TP53 P04637 1/20 0.35

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
SCHEMBL15580990 0.96 GAA (0.40) HTTNPSR1KMT2AHSD17B10MAPK1
SCHEMBL15580995 0.94 KMT2A (0.38) HTTNPSR1KMT2AHSD17B10MAPK1
SCHEMBL15580992 0.92 HTT (0.40) HTTNPSR1KMT2AHSD17B10MAPK1
SCHEMBL15580987 0.91 GAA (0.41) HTTNPSR1KMT2AHSD17B10MAPK1
Dovramilast SCHEMBL15580944 0.90 PDE4B (0.46) MAPK1KDM4ETSHRLMNATP53
SCHEMBL15580983 0.88 GAA (0.41) HTTNPSR1KMT2AHSD17B10MAPK1
Dovramilast SCHEMBL15580943 0.87 PDE4B (0.48) MAPK1TSHR
Dovramilast SCHEMBL15580937 0.84 PDE4B (0.47) MAPK1TSHR
SCHEMBL677353 0.84 PDE4B (0.46) KMT2AHSD17B10MAPK1POLBUSP2
SCHEMBL14924755 0.84 PDE4B (0.46) KMT2AHSD17B10MAPK1POLBUSP2

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 HTT 138/4885NPSR1 1987/4885KMT2A 2405/4885

“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.