SCHEMBL2963666

SCHEMBL2963666

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)O)CC4CCCC43)cc2)cc1)OCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 2/20 0.42
BCHE P06276 5/20 0.41
MAOB P27338 3/20 0.41
ACHE P22303 3/20 0.41
PTGIR P43119 1/20 0.41
MMP2 P08253 2/20 0.41
MMP9 P14780 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40
MGLL Q99685 1/20 0.39
TGM2 P21980 2/20 0.39
MAPK1 P28482 1/20 0.39
RORC P51449 1/20 0.38
TGM6 O95932 1/20 0.38
F13A1 P00488 1/20 0.38

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
SCHEMBL8325206 0.91 MMP2 (0.48) LMNABCHEMAOBACHEPTGIR
SCHEMBL3164298 0.87 LMNA (0.41) ALDH1A1LMNABCHEMAOBACHE
SCHEMBL8320192 0.85 ALDH1A1 (0.48) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL2958796 0.85 ALDH1A1 (0.48) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL13201300 0.82 LMNA (0.53) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL2969347 0.82 LMNA (0.53) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL8319712 0.81 ATM (0.51) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL2961185 0.81 ATM (0.51) ALDH1A1LMNAMMP2MMP9KMT2A
SCHEMBL13201289 0.80 POLB (0.62) ALDH1A1LMNAKMT2AMEN1GAA
SCHEMBL8319435 0.79 MMP2 (0.48) ALDH1A1LMNAACHEMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
US-7772270-B2 Imino acid derivatives as inhibitors of matrix metalloproteinases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-08-10 US disclosed
EP-1585728-B1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES SANOFI AVENTIS DEUTSCHLAND (DE) 2010-02-24 EP disclosed
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2006-11-09 US disclosed
EP-1585728-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES Aventis Pharma Deutschland GmbH (DE) 2005-10-19 EP disclosed
US-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2005-01-06 US disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO disclosed
WO-2004060874-A1 IMINO ACID DERIVATIVES FOR USE AS INHIBITORS OF MATRIX METALLOPROTEINASES AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-22 WO 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-20050004166-A1 Imino acid derivatives as inhibitors of matrix metalloproteinases MMP9, MMP1, MMP25 ALDH1A1 160/4885LMNA 189/4885BCHE 1198/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 ALDH1A1 155/4885LMNA 4053/4885BCHE 1172/4885

“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.