SCHEMBL15580990

SCHEMBL15580990

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 3/20 0.39
MAPK1 P28482 3/20 0.39
KMT2A Q03164 3/20 0.39
TSHR P16473 3/20 0.39
USP2 O75604 2/20 0.39
KDM4E B2RXH2 2/20 0.39
POLB P06746 1/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 2/20 0.38
EPHX2 P34913 3/20 0.38
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
SCHEMBL15580988 0.96 HTT (0.39) GAAHTTNPSR1HSD17B10MAPK1
SCHEMBL15580987 0.93 GAA (0.41) GAAHTTNPSR1HSD17B10MAPK1
SCHEMBL15580983 0.92 GAA (0.41) GAAHTTNPSR1HSD17B10MAPK1
Dovramilast SCHEMBL15580943 0.90 PDE4B (0.48) MAPK1TSHRPDE4APDE4BPDE4C
SCHEMBL15580995 0.90 KMT2A (0.38) GAAHTTNPSR1HSD17B10MAPK1
SCHEMBL15580992 0.88 HTT (0.40) GAAHTTNPSR1HSD17B10MAPK1
SCHEMBL677353 0.87 PDE4B (0.46) GAAHSD17B10MAPK1KMT2ATSHR
SCHEMBL14924755 0.87 PDE4B (0.46) GAAHSD17B10MAPK1KMT2ATSHR
Dovramilast SCHEMBL15580944 0.87 PDE4B (0.46) MAPK1TSHRKDM4ELMNAPDE4A
Dovramilast SCHEMBL15580927 0.83 PDE4B (0.52) MAPK1TSHRPDE4APDE4BPDE4C

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.