SCHEMBL2123667

SCHEMBL2123667

O=C(O)N1CC2(CCS(=O)(=O)CC2)c2ccc(Br)cc21

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.40
XIAP P98170 6/20 0.35
BIRC2 Q13490 6/20 0.35
SLC18A3 Q16572 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HSD17B3 P37058 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
LMNA P02545 1/20 0.32
PMP22 Q01453 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
GFER P55789 1/20 0.32
CASP2 P42575 1/20 0.32
PDE4B Q07343 1/20 0.32
MYC P01106 1/20 0.31
NR4A1 P22736 1/20 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
SCHEMBL1612565 0.91 NOTUM (0.51) NOTUMXIAPBIRC2SLC18A3SIGMAR1
SCHEMBL2126408 0.85 KDM1A (0.36) NOTUMXIAPBIRC2
SCHEMBL23671532 0.83 PIK3CA (0.42) NOTUMXIAPBIRC2HSD17B3ALDH1A1
SCHEMBL17436116 0.79 NOTUM (0.63) NOTUMXIAPBIRC2HSD17B3LMNA
SCHEMBL2126993 0.77 PIK3CA (0.46) ALDH1A1
SCHEMBL1613196 0.77 NOTUM (0.47) NOTUMXIAPBIRC2HSD17B3CASP2
SCHEMBL17436040 0.77 NOTUM (0.65) NOTUMXIAPBIRC2HSD17B3ALDH1A1
SCHEMBL15401238 0.76 NOTUM (0.47) NOTUMXIAPBIRC2HSD17B3ALDH1A1
SCHEMBL1830230 0.74 XIAP (0.43) XIAPBIRC2HSD17B3ALDH1A1POLB
SCHEMBL2125253 0.74 NOTUM (0.52) NOTUMXIAPBIRC2HSD17B3

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-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 NOTUM 4008/4885XIAP 202/4885BIRC2 668/4885

“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.