SCHEMBL11979693

SCHEMBL11979693

O=C(O)[C@H](Cc1ccccc1)NS(=O)(=O)CCCS(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 8/20 0.60
MMP9 P14780 6/20 0.60
ADAMTS4 O75173 1/20 0.60
ITGB3 P05106 4/20 0.55
ITGA2B P08514 4/20 0.55
ADAMTS5 Q9UNA0 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPT P10636 1/20 0.53
POLB P06746 1/20 0.53
MMP1 P03956 1/20 0.53
MMP3 P08254 1/20 0.53
MMP7 P09237 1/20 0.53
MMP13 P45452 1/20 0.53
HTT P42858 1/20 0.50
MME P08473 1/20 0.49
CA2 P00918 1/20 0.48

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
SCHEMBL6032775 0.91 ITGB3 (0.64) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL3311906 0.91 ITGB3 (0.63) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL3311910 0.91 ITGB3 (0.63) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL5966474 0.89 MMP2 (0.58) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL5966471 0.89 MMP2 (0.58) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL4067325 0.89 ITGB3 (0.61) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL5603960 0.89 ITGB3 (0.61) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL7622370 0.89 ITGB3 (0.61) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL16358922 0.89 MMP2 (0.52) MMP2MMP9ADAMTS4ITGB3ITGA2B
SCHEMBL10277954 0.86 PTPN1 (0.51) MMP2MMP9ADAMTS4ITGB3ITGA2B

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-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH (INTERNATIONAL) LIMITED (CH) 2015-09-24 US disclosed
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 US disclosed
US-9051248-B2 Methods, compounds, and compositions for delivering 1,3-propanedisulfonic acid BHI LIMITED PARTNERSHIP (CA) 2015-06-09 US disclosed
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 US disclosed
US-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID BELLUS HEALTH INC. (CA) 2012-08-16 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 (2 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-20120208850-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS MMP2 4587/4885MMP9 3017/4885ADAMTS4 1403/4885
US-20150266814-A1 METHODS, COMPOUNDS, AND COMPOSITIONS FOR DELIVERING 1,3-PROPANEDISULFONIC ACID SGMS1, GSS, HPGDS MMP2 4587/4885MMP9 3017/4885ADAMTS4 1403/4885

“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.