SCHEMBL10230784

SCHEMBL10230784

CCC[C@H](NCCCS(=O)(=O)O)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 2/20 0.43
EPHX2 P34913 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
FOLH1 Q04609 1/20 0.36
ENPEP Q07075 7/20 0.36
GGT1 P19440 2/20 0.36
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MMP2 P08253 2/20 0.34

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
SCHEMBL10230791 1.00 NOD1 (0.43) NOD1EPHX2ITGB3ITGA2BFOLH1
SCHEMBL12226550 0.90 NOD1 (0.50) NOD1EPHX2ITGB3ITGA2BFOLH1
SCHEMBL6268494 0.88 NOD1 (0.50) NOD1EPHX2ITGB3ITGA2BMMP2
SCHEMBL10230794 0.84 EPHX1 (0.37) NOD1EPHX2ENPEP
SCHEMBL10230776 0.84 EPHX1 (0.37) NOD1EPHX2ENPEP
SCHEMBL29198010 0.84 NOD1 (0.55) NOD1ITGB3ITGA2BGGT1CHRM1
SCHEMBL10278088 0.83 LMNA (0.42) FOLH1CA2
SCHEMBL10278171 0.83 LMNA (0.42) FOLH1CA2
SCHEMBL28862007 0.82 NOD1 (0.57) NOD1ITGB3ITGA2B
Methane SCHEMBL28164645 0.82 NOD1 (0.54) NOD1ITGB3ITGA2BGGT1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2014-11-06 US disclosed
US-8835654-B2 Method and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-09-16 US disclosed
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH INC. (CA) 2012-01-19 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 (3 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-20140329746-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NOD1 877/4885EPHX2 678/4885ITGB3 3213/4885
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NOD1 877/4885EPHX2 678/4885ITGB3 3213/4885
US-20120015911-A1 METHOD AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 NOD1 832/4885EPHX2 660/4885ITGB3 3302/4885

“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.