SCHEMBL4371089

SCHEMBL4371089

O=C(O)CC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 14/20 0.74
MMP8 P22894 5/20 0.74
MMP13 P45452 1/20 0.74
ADAMTS4 O75173 1/20 0.74
MMP2 P08253 14/20 0.63
ADAMTS5 Q9UNA0 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
MMP12 P39900 4/20 0.55
MMP14 P50281 4/20 0.55
SLC1A3 P43003 1/20 0.54
SLC1A2 P43004 1/20 0.54
SLC1A1 P43005 1/20 0.54

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
SCHEMBL7098598 1.00 MMP9 (0.74) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL30444283 0.89 MMP9 (0.60) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL4830195 0.88 MMP2 (0.65) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL8839469 0.87 MMP2 (0.61) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL8839475 0.87 MMP2 (0.61) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL716323 0.86 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL698930 0.86 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL698929 0.86 MMP9 (0.86) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL5875639 0.85 MMP2 (0.60) MMP9MMP8MMP13ADAMTS4MMP2
SCHEMBL14602271 0.85 MMP9 (1.00) MMP9MMP8MMP13ADAMTS4MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF DAIICHI SANKYO CO LTD (JP) 2013-11-07 US disclosed
EP-2463268-B1 4-(Aminomethyl)benzoic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds DAIICHI SANKYO CO LTD (JP) 2013-08-28 EP disclosed
US-8507714-B2 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-08-13 US disclosed
EP-1820798-B1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF DAIICHI SANKYO CO LTD (JP) 2012-08-22 EP disclosed
EP-2463268-A1 Aminomethyl-substituted aromatic acids as intermediates for the preparation of chymase inhibiting 1,4-diazepan-2,5-dione compounds Daiichi Sankyo Company, Limited (JP) 2012-06-13 EP disclosed
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF ASUBIO PHARMA CO., LTD (JP) 2009-10-08 US disclosed
US-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-04-30 US disclosed
EP-2025672-A1 SEVEN-MEMBERED RING COMPOUND, PRODUCTION METHOD THEREOF AND PHARMACEUTICAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2009-02-18 EP disclosed
EP-1820798-A1 7-MEMBERED RING COMPOUND, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF Asubio Pharma Co., Ltd. (JP) 2007-08-22 EP 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-20090111796-A1 7-membered ring compound and method of production and pharmaceutical application thereof CMA1, CPA3, SI MMP9 62/4885MMP8 57/4885MMP13 44/4885
US-20130296551-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI MMP9 62/4885MMP8 57/4885MMP13 44/4885
US-20090253683-A1 7-MEMBERED RING COMPOUND AND METHOD OF PRODUCTION AND PHARMACEUTICAL APPLICATION THEREOF CMA1, CPA3, SI MMP9 62/4885MMP8 57/4885MMP13 44/4885

“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.