SCHEMBL15219087

SCHEMBL15219087

CCCCOC[C@H]1C[C@@]2(C1)NC(=O)NC2=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.34
CRBN Q96SW2 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP9 P14780 1/20 0.33
ALDH1A1 P00352 2/20 0.33
USP2 O75604 1/20 0.32
POLB P06746 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL15219086 1.00 TDP1 (0.40) TDP1SMN1; SMN2LMNACRBNMMP2
SCHEMBL15014724 0.88 TDP1 (0.42) TDP1SMN1; SMN2LMNACRBNMMP2
SCHEMBL15219011 0.88 TDP1 (0.42) TDP1SMN1; SMN2LMNACRBNMMP2
SCHEMBL14048429 0.78 TDP1 (0.39) TDP1LMNACRBNMMP2MMP3
SCHEMBL15216893 0.75 LMNA (0.37) TDP1LMNACRBN
SCHEMBL12328897 0.73 TDP1 (0.45) TDP1LMNACRBN
SCHEMBL9813587 0.70 SMN1; SMN2 (0.44) TDP1SMN1; SMN2ALDH1A1TSHR
SCHEMBL18133096 0.70 PYGM (0.45) TDP1CRBN
SCHEMBL10215944 0.70 SMN1; SMN2 (0.47) TDP1SMN1; SMN2CRBNALDH1A1USP2
SCHEMBL15216897 0.70 PYGM (0.45) TDP1CRBN

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-8907128-B2 Boron compound with amino acid skeleton containing cyclo ring-type ring STELLA PHARMA CORPORATION (JP) 2014-12-09 US disclosed
US-20130225861-A1 Boron Compound With Amino Acid Skeleton Containing Cyclo Ring STELLA PHARMA CORPORATION (JP) 2013-08-29 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-20130225861-A1 Boron Compound With Amino Acid Skeleton Containing Cyclo Ring BCAT1, BCAT2, SLC1A5 TDP1 3968/4885SMN1; SMN2 1642/4885LMNA 1322/4885

“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.