SCHEMBL3311906

SCHEMBL3311906

NCCCS(=O)(=O)NC(Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.63
ITGA2B P08514 5/20 0.63
MMP2 P08253 9/20 0.55
MMP9 P14780 7/20 0.55
ADAMTS4 O75173 1/20 0.55
CPB2 Q96IY4 1/20 0.51
ADAMTS5 Q9UNA0 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
MMP1 P03956 1/20 0.49
MMP3 P08254 1/20 0.49
MMP7 P09237 1/20 0.49
MMP13 P45452 1/20 0.49

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
SCHEMBL3311910 1.00 ITGB3 (0.63) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL11979693 0.91 MMP2 (0.60) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL6032775 0.86 ITGB3 (0.64) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL3306554 0.84 ITGB3 (0.54) ITGB3ITGA2BALDH1A1POLB
SCHEMBL5966471 0.84 MMP2 (0.58) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL5966474 0.84 MMP2 (0.58) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL7622370 0.83 ITGB3 (0.61) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL5603960 0.83 ITGB3 (0.61) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL16358922 0.83 MMP2 (0.52) ITGB3ITGA2BMMP2MMP9ADAMTS4
SCHEMBL4067325 0.83 ITGB3 (0.61) ITGB3ITGA2BMMP2MMP9ADAMTS4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BHI LIMITED PARTNERSHIP (CA) 2014-04-17 US disclosed
US-8642801-B2 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2014-02-04 US disclosed
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2010-05-06 US disclosed
US-7414076-B2 Methods and compositions for treating amyloid-related diseases NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2008-08-19 US disclosed
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2007-01-11 US disclosed
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases BHI LIMITED PARTNERSHIP (CA) 2005-05-05 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 (4 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-20140107027-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ITGB3 3213/4885ITGA2B 3161/4885MMP2 1001/4885
US-20100113591-A1 METHODS AND COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES APP, PSEN1, PSEN2 ITGB3 3213/4885ITGA2B 3161/4885MMP2 1001/4885
US-20050096385-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ITGB3 3213/4885ITGA2B 3161/4885MMP2 1001/4885
US-20070010573-A1 Methods and compositions for treating amyloid-related diseases APP, PSEN1, PSEN2 ITGB3 3213/4885ITGA2B 3161/4885MMP2 1001/4885

“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.