SCHEMBL6109028

SCHEMBL6109028

CCOC(=O)[C@H](C)NCCNS(=O)(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
THRB P10828 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP8 P22894 1/20 0.48
MMP13 P45452 1/20 0.48
CYP19A1 P11511 1/20 0.47
HIF1A Q16665 1/20 0.46
NPY5R Q15761 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
PKM P14618 1/20 0.45
USP2 O75604 1/20 0.45

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
SCHEMBL6109023 1.00 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL14499650 0.84 CA1 (0.54) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL3817262 0.82 ALDH1A1 (0.51) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL4389696 0.80 KMT2A (0.71) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL30649118 0.80 KMT2A (0.71) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL4644817 0.80 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL11896073 0.78 KMT2A (0.62) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL11896074 0.78 KMT2A (0.62) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL26101768 0.78 KMT2A (0.56) ALDH1A1KMT2AMEN1THRBCA1
SCHEMBL2336131 0.77 KMT2A (0.64) ALDH1A1KMT2AMEN1THRBCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022851-B2 PNA monomer and precursor PANAGENE, INC. (KR) 2006-04-04 US disclosed
US-20030195332-A1 PNA monomer and precursor PANAGENE, INC. (KR) 2003-10-16 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-20030195332-A1 PNA monomer and precursor RNGTT, NGLY1, NCL ALDH1A1 3614/4885KMT2A 4121/4885MEN1 961/4885

“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.