SCHEMBL2959199

SCHEMBL2959199

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
HTT P42858 2/20 0.38
MMP8 P22894 4/20 0.37
MMP3 P08254 3/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL16298352 1.00 AKR1C3 (0.39) AKR1C3AKR1C1MMP2MMP9TDP1
SCHEMBL13479960 1.00 AKR1C3 (0.39) AKR1C3AKR1C1MMP2MMP9TDP1
SCHEMBL8319431 1.00 AKR1C3 (0.39) AKR1C3AKR1C1MMP2MMP9TDP1
SCHEMBL8320747 0.96 TDP1 (0.41) MMP2TDP1PSEN1PSEN2APH1B
SCHEMBL2969395 0.96 TDP1 (0.41) MMP2TDP1PSEN1PSEN2APH1B
SCHEMBL8319435 0.90 MMP2 (0.48) AKR1C3AKR1C1MMP2MMP9ALDH1A1
SCHEMBL8319047 0.88 PSEN1 (0.52) AKR1C3AKR1C1PSEN1PSEN2APH1B
SCHEMBL8327363 0.88 MMP2 (0.48) AKR1C3AKR1C1MMP2MMP9TDP1
SCHEMBL16298354 0.87 MMP2 (0.49) MMP2MMP9MMP8MMP3MMP1
SCHEMBL13480199 0.87 MMP2 (0.49) MMP2MMP9MMP8MMP3MMP1

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 AKR1C3 1095/4885AKR1C1 784/4885MMP2 5/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 AKR1C3 296/4885AKR1C1 191/4885MMP2 3817/4885

“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.