SCHEMBL4599862

SCHEMBL4599862

NCCCCC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.67
MMP9 P14780 7/20 0.67
RAB9A P51151 1/20 0.67
MMP7 P09237 1/20 0.51
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
MMP8 P22894 2/20 0.45
MMP13 P45452 1/20 0.45
ADAMTS4 O75173 1/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MMP12 P39900 1/20 0.43
MMP14 P50281 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL4599857 1.00 MMP2 (0.67) MMP2MMP9RAB9AMMP7CA1
SCHEMBL4882077 0.83 MMP9 (0.64) MMP2MMP9RAB9AMMP7CA1
SCHEMBL4882067 0.83 MMP9 (0.64) MMP2MMP9RAB9AMMP7CA1
SCHEMBL8715883 0.81 MMP9 (0.73) MMP2MMP9MMP8MMP13ADAMTS4
SCHEMBL8715885 0.81 MMP9 (0.73) MMP2MMP9MMP8MMP13ADAMTS4
SCHEMBL6562692 0.81 MMP9 (0.87) MMP2MMP9MMP8MMP13ADAMTS4
SCHEMBL6562688 0.81 MMP9 (0.87) MMP2MMP9MMP8MMP13ADAMTS4
SCHEMBL10585071 0.81 MMP9 (0.76) MMP2MMP9MMP7CA1CA2
SCHEMBL457772 0.81 MMP9 (0.76) MMP2MMP9MMP7CA1CA2
SCHEMBL8001084 0.81 MMP9 (0.76) MMP2MMP9MMP7CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-17 US disclosed
WO-2008080223-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE MIGENIX INC. (CA) 2008-07-10 WO disclosed
EP-1910279-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2008-04-16 EP disclosed
US-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-25 US disclosed
WO-2007002639-A2 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF MIGENIX INC. (CA) 2007-01-04 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-20070021434-A1 NON-NUCLEOSIDE ANTI-HEPACIVIRUS AGENTS AND USES THEREOF HAVCR2, ADAR, NSUN2 MMP2 1319/4885MMP9 1398/4885RAB9A 649/4885
US-20080171783-A1 COMPOSITIONS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISEASE POLQ, POLI, POLH MMP2 745/4885MMP9 1098/4885RAB9A 2724/4885

“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.