SCHEMBL2965640

SCHEMBL2965640

O=C(O)C1CC2CCCC2N1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.55
MMP2 P08253 2/20 0.47
EPHX2 P34913 1/20 0.45
AKR1C3 P42330 1/20 0.42
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41
HTT P42858 1/20 0.41
RECQL P46063 1/20 0.41
PARL Q9H300 1/20 0.41
FAAH O00519 1/20 0.41
MMP9 P14780 1/20 0.41

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
SCHEMBL8328565 1.00 ACHE (0.55) ACHEMMP2EPHX2AKR1C3ALDH1A1
SCHEMBL2961151 0.96 ACHE (0.52) ACHEMMP2EPHX2AKR1C3FAAH
SCHEMBL8319432 0.96 ACHE (0.52) ACHEMMP2EPHX2AKR1C3FAAH
SCHEMBL13201349 0.94 ACHE (0.49) ACHEMMP2EPHX2AKR1C3FAAH
SCHEMBL13201340 0.87 MMP2 (0.53) ACHEMMP2EPHX2AKR1C3MMP9
SCHEMBL13201328 0.84 CA9 (0.52) ACHEMMP2EPHX2MMP9
SCHEMBL2964063 0.84 PSEN1 (0.43) ACHEMMP2EPHX2ALDH1A1LMNA
SCHEMBL8320723 0.84 PSEN1 (0.43) ACHEMMP2EPHX2ALDH1A1LMNA
SCHEMBL8327403 0.84 TDP1 (0.41) ACHEALDH1A1LMNAHTT
SCHEMBL8320725 0.84 EPHX2 (0.42) ACHEEPHX2AKR1C3ALDH1A1LMNA

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-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

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 ACHE 2003/4885MMP2 5/4885EPHX2 826/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 ACHE 4006/4885MMP2 3817/4885EPHX2 731/4885

“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.