SCHEMBL16367407

SCHEMBL16367407

CC(=O)OC(COS(C)(=O)=O)C(Cc1ccc([N+](=O)[O-])cc1)OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.38
PTGS2 P35354 1/20 0.38
CA2 P00918 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL16367370 0.88 PTGS2 (0.42) MAOBMEN1KMT2ALMNAPTGS2
SCHEMBL16367408 0.85 ACHE (0.44) MEN1KMT2ALMNAALDH1A1NPC1
SCHEMBL16367373 0.82 MAOB (0.44) MAOBMEN1KMT2ALMNAALDH1A1
SCHEMBL16367382 0.79 POLB (0.48) MEN1KMT2ALMNACA2ALDH1A1
SCHEMBL2240871 0.79 IDO1 (0.42) MEN1KMT2ALMNACA2
SCHEMBL16367405 0.78 TSHR (0.44) MEN1KMT2ALMNACA2ALDH1A1
SCHEMBL27938283 0.78 MEN1 (0.44) MEN1KMT2ALMNACA2NPC1
SCHEMBL16390172 0.76 MAOB (0.46) MAOBMEN1KMT2ALMNAALDH1A1
SCHEMBL15118477 0.76 CYP19A1 (0.41) MEN1KMT2ACA2
SCHEMBL15607952 0.74 MAOB (0.36) MAOBMEN1KMT2ALMNACA2

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 MAOB 108/4885MEN1 2288/4885KMT2A 2366/4885

“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.