SCHEMBL16367365

SCHEMBL16367365

CC(=O)OC(COS(=O)(=O)c1ccc(C)cc1)Cn1cccc1[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.36
MMP9 P14780 2/20 0.36
THRB P10828 1/20 0.36
POLB P06746 3/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 2/20 0.34
EGFR P00533 1/20 0.33
ERBB2 P04626 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
DHODH Q02127 1/20 0.33
STAT3 P40763 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
CYP24A1 Q07973 1/20 0.32
GPR17 Q13304 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
SCHEMBL16367348 0.89 DHODH (0.34) MMP2MMP9MAPTEGFRERBB2
SCHEMBL16367319 0.86 POLB (0.36) THRBPOLBKDM4EMAPTKMT2A
SCHEMBL16367349 0.85 EGFR (0.37) THRBPOLBKDM4EMAPTEGFR
SCHEMBL16367377 0.84 ALDH1A1 (0.39) MMP2MMP9POLBMAPTEGFR
SCHEMBL16367378 0.83 MMP2 (0.36) MMP2MMP9POLBMAPTEGFR
SCHEMBL16367353 0.80 EGFR (0.52) THRBKDM4EEGFRERBB2LMNA
SCHEMBL8423991 0.78 STAT3 (0.44) LMNAMAPK1DHODHSTAT3KMT2A
SCHEMBL16367345 0.76 L3MBTL1 (0.38) THRBPOLBKDM4EMAPTEGFR
SCHEMBL16367402 0.75 ACHE (0.45) MMP2MMP9THRBPOLBMAPT
SCHEMBL16367343 0.75 EGFR (0.36) KDM4EEGFRERBB2LMNAMAPK1

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 1227/4885THRB 1824/4885

“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.