SCHEMBL4502392

SCHEMBL4502392

CC(C)(C)OC(=O)C1CC(NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ THRB P10828 1/20 0.49
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ MMP1 P03956 1/20 0.49
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ MMP8 P22894 1/20 0.49
▸ MMP13 P45452 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.46
▸ MAPT P10636 1/20 0.46
▸ DRD2 P14416 1/20 0.46
▸ ADRA1D P25100 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ ADRA1B P35368 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ F2 P00734 2/20 0.43

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
SCHEMBL15488654 0.85 KMT2A (0.57) MEN1KMT2ATHRBCA1CA2
SCHEMBL15488313 0.83 KMT2A (0.67) MEN1KMT2ATHRBCA1CA2
SCHEMBL15488312 0.83 KMT2A (0.67) MEN1KMT2ATHRBCA1CA2
SCHEMBL28667075 0.82 KMT2A (0.57) MEN1KMT2ATHRBCA1CA2
SCHEMBL4107506 0.81 MEN1 (0.55) MEN1KMT2ATHRBCA1CA2
SCHEMBL2107778 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL31234802 0.80 MEN1 (0.60) MEN1KMT2AALDH1A1MAPTDRD2
SCHEMBL13128283 0.80 MEN1 (0.48) MEN1KMT2ATHRBCA1CA2
SCHEMBL2011423 0.79 MEN1 (0.53) MEN1KMT2ATHRBCA1CA2
SCHEMBL28667747 0.79 MEN1 (0.49) MEN1KMT2ATHRBCA1CA2

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-20090298894-A1 AMINO ACID COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2009-12-03 — — 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-20090298894-A1 AMINO ACID COMPOUNDS S1PR1, S1PR2, S1PR5 MEN1 1035/4885KMT2A 3063/4885THRB 1341/4885

“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.

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