SCHEMBL2961185

SCHEMBL2961185

O=C(Nc1ccc(-c2ccc(S(=O)(=O)N3C(C(=O)O)CC4CCCC43)cc2)cc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.51
KDM4E B2RXH2 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.49
ALDH1A1 P00352 4/20 0.47
MAPT P10636 4/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 2/20 0.47
TRPV4 Q9HBA0 1/20 0.47
PTPN1 P18031 2/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
PSMD14 O00487 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
CACNA1B Q00975 1/20 0.46
APBA1 Q02410 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46

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
SCHEMBL8319712 1.00 ATM (0.51) ATMKDM4ELMNATP53ALDH1A1
SCHEMBL13201300 0.90 LMNA (0.53) ATMKDM4ELMNATP53ALDH1A1
SCHEMBL2969347 0.90 LMNA (0.53) ATMKDM4ELMNATP53ALDH1A1
SCHEMBL8323057 0.88 MEN1 (0.58) ATMKDM4ELMNATP53ALDH1A1
SCHEMBL8319435 0.87 MMP2 (0.48) ATMLMNAALDH1A1SMN1; SMN2HTT
SCHEMBL3153829 0.85 KDM4E (0.47) ATMKDM4ELMNATP53ALDH1A1
SCHEMBL8327363 0.85 MMP2 (0.48) ALDH1A1SMN1; SMN2MMP2MMP9GHSR
SCHEMBL8319058 0.84 HSD17B10 (0.46) ATMLMNAALDH1A1MAPTHTT
SCHEMBL2960166 0.84 HSD17B10 (0.46) ATMLMNAALDH1A1MAPTHTT
SCHEMBL8320192 0.84 ALDH1A1 (0.48) KDM4ELMNAALDH1A1MAPTSMN1; SMN2

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 ATM 3511/4885KDM4E 3922/4885LMNA 189/4885
US-20060252752-A1 Octahydrocyclopenta[b]pyrrole-sulfonamide-2-carboxylic acid derivatives; reduced side effects SULT2A1, ADCYAP1R1, SULT1A1 ATM 4382/4885KDM4E 3096/4885LMNA 4053/4885

“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.