SCHEMBL16367378

SCHEMBL16367378

Cc1ccc(S(=O)(=O)OCC(O)C(O)Cn2cccc2[N+](=O)[O-])cc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
CYP24A1 Q07973 1/20 0.33
PKM P14618 1/20 0.33
TK1 P04183 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DHODH Q02127 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 1/20 0.33
STAT3 P40763 1/20 0.32
VDR P11473 1/20 0.32

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
SCHEMBL16367377 0.90 ALDH1A1 (0.39) MMP2MMP9ALDH1A1MAPTHTT
SCHEMBL15607837 0.85 TK1 (0.32) TK1KMT2A
SCHEMBL16367365 0.83 MMP2 (0.36) MMP2MMP9ALDH1A1MAPTEGFR
SCHEMBL15607811 0.83 EGFR (0.36) ALDH1A1MAPTHTTCA1CA2
SCHEMBL16367348 0.82 DHODH (0.34) MMP2MMP9ALDH1A1MAPTEGFR
SCHEMBL16367296 0.81 KMT2A (0.47) ALDH1A1MAPTHTTCA1CA2
SCHEMBL16367352 0.78 MAPK1 (0.55) ALDH1A1CA1CA2EGFRERBB2
SCHEMBL70900 0.78 STAT3 (0.46) MMP2MMP9ALDH1A1CA1CA2
SCHEMBL1730532 0.78 STAT3 (0.46) MMP2MMP9ALDH1A1CA1CA2
SCHEMBL70901 0.78 STAT3 (0.46) MMP2MMP9ALDH1A1CA1CA2

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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 US disclosed
US-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation AUCKLAND UNISERVICES LTD (NL) 2015-01-08 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-20150010474-A1 Compounds And Methods For Selective Imaging And/Or Ablation CBR1, CBR3, BLVRB MMP2 982/4885MMP9 1227/4885ALDH1A1 140/4885

“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.