SCHEMBL16367308

SCHEMBL16367308

CC(=O)OC(COS(C)(=O)=O)C(Cn1cncc1[N+](=O)[O-])OC(C)=O

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL16367302 0.89 POLB (0.36) ALDH1A1RAB9ASMN1; SMN2MAPK1ATM
SCHEMBL16367343 0.86 EGFR (0.36) ALDH1A1RAB9ASMN1; SMN2MAPK1
SCHEMBL16367321 0.84 ALDH1A1 (0.37) ALDH1A1RAB9ASMN1; SMN2MAPK1ATM
SCHEMBL16367340 0.82 CHRM1 (0.36) ALDH1A1RAB9ASMN1; SMN2MAPK1ATM
SCHEMBL15607848 0.81 PTGS2 (0.31)
SCHEMBL16367298 0.81 MAPK1 (0.35) ALDH1A1RAB9ASMN1; SMN2MAPK1ATM
SCHEMBL16367385 0.80 MAPK1 (0.52) ALDH1A1SMN1; SMN2MAPK1ATM
SCHEMBL16367336 0.76 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2MAPK1
SCHEMBL16367310 0.76 POLB (0.37) ALDH1A1RAB9ASMN1; SMN2MAPK1ATM
SCHEMBL16367349 0.75 EGFR (0.37) ALDH1A1RAB9ASMN1; SMN2MAPK1

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 ALDH1A1 140/4885RAB9A 4054/4885SMN1; SMN2 4329/4885

“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.