SCHEMBL4101645

SCHEMBL4101645

O=C(O)N1CC[C@@H](NS(=O)(=O)c2ccccc2[N+](=O)[O-])C1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
ALDH1A1 P00352 2/20 0.49
MAPT P10636 2/20 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
HTT P42858 2/20 0.47
NPC1 O15118 1/20 0.46
THRB P10828 1/20 0.46
EPHX2 P34913 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
TBXA2R P21731 5/20 0.46

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
SCHEMBL4101640 1.00 MEN1 (0.62) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL18230266 0.93 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL18230267 0.93 MEN1 (0.66) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL4733033 0.93 MEN1 (0.68) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL5888030 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL5888033 0.86 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTCA1
SCHEMBL31615446 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL6166918 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL4122520 0.85 MEN1 (0.55) MEN1KMT2AALDH1A1MAPTTHRB
SCHEMBL2244455 0.84 MEN1 (0.50) MEN1KMT2AALDH1A1MAPTCA1

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-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ABBOT PHILIP 2009-03-26 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-20090082332-A1 PURINE DERIVATIVES FOR THE TREATMENT OF VIRAL OR ALLERGIC DISEASES AND CANCERS ADORA3, ADORA1, P2RX1 MEN1 867/4885KMT2A 1517/4885ALDH1A1 932/4885

“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.