SCHEMBL3282597

SCHEMBL3282597

C[C@@]1(Cc2c([N+](=O)[O-])cccc2S(=O)(=O)O)CO1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.39
MEN1 O00255 2/20 0.39
THRB P10828 1/20 0.39
PKM P14618 2/20 0.38
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
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MCOLN3 Q8TDD5 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
POLB P06746 1/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
NPY5R Q15761 2/20 0.35
F2 P00734 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
SCHEMBL1953369 1.00 KMT2A (0.39) KMT2AMEN1THRBPKMCA1
SCHEMBL3282601 1.00 KMT2A (0.39) KMT2AMEN1THRBPKMCA1
SCHEMBL3198173 1.00 KMT2A (0.39) KMT2AMEN1THRBPKMCA1
SCHEMBL1953366 1.00 KMT2A (0.39) KMT2AMEN1THRBPKMCA1
SCHEMBL28747128 0.78 KMT2A (0.47) KMT2AMEN1THRBPKMCA1
SCHEMBL14991413 0.77 KMT2A (0.50) KMT2AMEN1THRBPKMCA1
SCHEMBL14991414 0.77 KMT2A (0.50) KMT2AMEN1THRBPKMCA1
SCHEMBL27558462 0.76 KMT2A (0.49) KMT2AMEN1THRBPKMCA1
SCHEMBL19126862 0.75 KMT2A (0.47) KMT2AMEN1THRBPKMCA1
SCHEMBL336604 0.74 KMT2A (0.41) KMT2AMEN1PKMCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7709500-B2 Chemical compounds ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20050107428-A1 Chemical compounds ASTRAZENECA AB (SE) 2005-05-19 US disclosed
EP-1478624-A1 CHEMICAL COMPOUNDS AstraZeneca AB (SE) 2004-11-24 EP disclosed
WO-2003068743-A1 CHEMICAL COMPOUNDS ASTRAZENECA AB (SE) 2003-08-21 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-20050107428-A1 Chemical compounds CCR10, CCR3, CXCR5 KMT2A 2114/4885MEN1 4375/4885THRB 2015/4885

“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.