SCHEMBL2808390

SCHEMBL2808390

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

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 7/20 0.49
MMP9 P14780 7/20 0.49
MMP8 P22894 3/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
MMP1 P03956 1/20 0.49
MMP13 P45452 1/20 0.49
THRB P10828 1/20 0.46
HDAC1 Q13547 1/20 0.45
NPY5R Q15761 3/20 0.45
NRP1 O14786 1/20 0.45
MMP12 P39900 2/20 0.44
MMP14 P50281 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PKM P14618 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 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
SCHEMBL2808395 1.00 MMP2 (0.49) MMP2MMP9MMP8CA1CA2
SCHEMBL2807924 0.88 MMP9 (0.52) MMP2MMP9MMP8CA1CA2
SCHEMBL2807923 0.88 MMP9 (0.52) MMP2MMP9MMP8CA1CA2
SCHEMBL13128305 0.88 L3MBTL1 (0.49) MMP2MMP9MMP8CA1CA2
SCHEMBL30299102 0.86 MMP9 (0.65) MMP2MMP9MMP8CA1CA2
SCHEMBL2805413 0.84 MMP9 (0.48) MMP2MMP9MMP8CA1CA2
SCHEMBL2805419 0.84 MMP9 (0.48) MMP2MMP9MMP8CA1CA2
SCHEMBL25352953 0.84 MMP2 (0.50) MMP2MMP9MMP8CA1CA2
SCHEMBL25352949 0.84 MMP2 (0.50) MMP2MMP9MMP8CA1CA2
SCHEMBL2812796 0.83 MMP2 (0.47) MMP2MMP9MMP8CA1CA2

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 MMP2 161/4885MMP9 224/4885MMP8 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.