SCHEMBL13128306

SCHEMBL13128306

CCOC(=O)[C@H](CCCCCCCCN(C)S(=O)(=O)NC(=O)OC(C)(C)C)NS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
HIF1A Q16665 1/20 0.37
THRB P10828 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
F13A1 P00488 1/20 0.36
TGM1 P22735 1/20 0.36
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC10A6 Q3KNW5 1/20 0.35

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
SCHEMBL2808807 0.92 ALDH1A1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL2808808 0.92 ALDH1A1 (0.41) CA1CA2MMP1MMP2MMP9
SCHEMBL13128308 0.86 L3MBTL1 (0.46) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL13128311 0.86 L3MBTL1 (0.33) L3MBTL1
SCHEMBL13128303 0.81 L3MBTL1 (0.51) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL13128313 0.81 L3MBTL1 (0.36) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL7752653 0.80 CA1 (0.45) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL13128305 0.80 L3MBTL1 (0.49) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL13128301 0.78 L3MBTL1 (0.48) L3MBTL1CA1CA2MMP1MMP2
SCHEMBL25352826 0.77 CA1 (0.44) CA1CA2MMP1MMP2MMP9

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 1 patent. 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

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 L3MBTL1 2176/4885CA1 3665/4885CA2 3481/4885

“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.