SCHEMBL411989

SCHEMBL411989

[2H]C1([2H])C(=O)OC(=O)C([15N]2C(=O)c3ccccc3C2=O)C1([2H])[2H]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 5/20 0.42
CRBN Q96SW2 5/20 0.42
TSHR P16473 3/20 0.42
IKZF3 Q9UKT9 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
CYP1A2 P05177 2/20 0.42
ALDH1A1 P00352 2/20 0.42
CHRM2 P08172 1/20 0.42
OPRM1 P35372 1/20 0.42
PKM P14618 2/20 0.33
TNF P01375 1/20 0.33
IL1B P01584 1/20 0.33
TBXA2R P21731 1/20 0.33
IKZF1 Q13422 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 2/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 2/20 0.31

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
SCHEMBL410251 1.00 DDB1 (0.42) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL11606116 0.80 DDB1 (0.46) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL986701 0.80 DDB1 (0.46) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL15930058 0.80 DDB1 (0.54) DDB1CRBNTDP1CYP1A2ALDH1A1
SCHEMBL7284377 0.78 CRBN (0.55) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL410700 0.78 CRBN (0.55) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL442296 0.78 CRBN (0.55) DDB1CRBNTSHRIKZF3TDP1
SCHEMBL410243 0.78 CRBN (0.55) DDB1CRBNTSHRIKZF3TDP1
Thalidomide SCHEMBL410579 0.72 CRBN (0.65) DDB1CRBNTSHRIKZF3TDP1
Thalidomide SCHEMBL411770 0.72 CRBN (0.65) DDB1CRBNTSHRIKZF3TDP1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120064004-A1 ISOTOPOLOGUES OF THALIDOMIDE CELGENE CORPORATION 2012-03-15 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-20120064004-A1 ISOTOPOLOGUES OF THALIDOMIDE CDK4, FKBP8, FKBP1A DDB1 1013/4885CRBN 475/4885TSHR 1448/4885

“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.