SCHEMBL2807923

SCHEMBL2807923

O=C(O)[C@H](CCCCCCCCO)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP9 P14780 4/20 0.52
MMP2 P08253 3/20 0.52
MMP8 P22894 2/20 0.52
MMP13 P45452 2/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
MMP1 P03956 1/20 0.52
NRP1 O14786 1/20 0.47
THRB P10828 1/20 0.46
HDAC1 Q13547 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
F2 P00734 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL2807924 1.00 MMP9 (0.52) MMP9MMP2MMP8MMP13CA1
SCHEMBL30299102 0.89 MMP9 (0.65) MMP9MMP2MMP8MMP13CA1
SCHEMBL2808390 0.88 MMP2 (0.49) MMP9MMP2MMP8MMP13CA1
SCHEMBL2808395 0.88 MMP2 (0.49) MMP9MMP2MMP8MMP13CA1
SCHEMBL2805413 0.87 MMP9 (0.48) MMP9MMP2MMP8MMP13CA1
SCHEMBL2805419 0.87 MMP9 (0.48) MMP9MMP2MMP8MMP13CA1
SCHEMBL13128303 0.86 L3MBTL1 (0.51) MMP9MMP2MMP8MMP13CA1
SCHEMBL21837493 0.85 CA1 (0.60) MMP9MMP2MMP8MMP13CA1
SCHEMBL21837494 0.85 CA1 (0.60) MMP9MMP2MMP8MMP13CA1
SCHEMBL6926952 0.84 MMP9 (0.56) MMP9MMP2MMP8MMP13CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100240638-A1 Organic Compounds and their uses NOVARTIS AG (CH) 2010-09-23 US disclosed
EP-2125757-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS Novartis AG (CH) 2009-12-02 EP disclosed
WO-2008101665-A1 MACROCYCLIC COMPOUNDS AS HCV NS3 PROTEASE INHIBITORS NOVARTIS AG (CH) 2008-08-28 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 (1 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-20100240638-A1 Organic Compounds and their uses OAT, HAVCR2, CYP3A43 MMP9 224/4885MMP2 161/4885MMP8 219/4885

“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.