SCHEMBL2278690

SCHEMBL2278690

CC(=O)OCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.58
MEN1 O00255 1/20 0.58
THRB P10828 1/20 0.56
ALDH1A1 P00352 3/20 0.54
CA1 P00915 1/20 0.54
CA2 P00918 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP13 P45452 1/20 0.54
CYP19A1 P11511 1/20 0.52
PKM P14618 1/20 0.52
NPY5R Q15761 3/20 0.52
HTT P42858 1/20 0.50
LMNA P02545 1/20 0.50
SLC10A6 Q3KNW5 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL29224646 0.87 KMT2A (0.58) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL2747531 0.84 KMT2A (0.64) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL38654855 0.84 KMT2A (0.67) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL4389696 0.82 KMT2A (0.71) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL30649118 0.82 KMT2A (0.71) KMT2AMEN1THRBALDH1A1CA1
Acetic Acid SCHEMBL3817020 0.82 KMT2A (0.61) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL2360330 0.82 KMT2A (0.61) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL26116904 0.82 THRB (0.63) KMT2AMEN1THRBALDH1A1CA1
SCHEMBL4170943 0.81 KMT2A (0.47) KMT2AMEN1THRBALDH1A1PKM
SCHEMBL2282236 0.81 ALDH1A1 (0.39) KMT2AMEN1THRBALDH1A1PKM

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-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 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-20070129346-A1 Melanocortin receptor agonists MC1R, MC3R, MC5R KMT2A 1824/4885MEN1 632/4885THRB 198/4885

“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.