SCHEMBL16367291

SCHEMBL16367291

CS(=O)(=O)OCC(CO)n1cc(Cn2ccnc2[N+](=O)[O-])nn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.37
KMT2A Q03164 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
LMNA P02545 1/20 0.35
THRB P10828 1/20 0.35
CYP2C19 P33261 1/20 0.35
KCNH2 Q12809 4/20 0.34
CYP19A1 P11511 2/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL17613421 0.88 TYMP (0.39) TYMPKMT2ACA12CA1CA2
SCHEMBL13104162 0.88 TYMP (0.39) TYMPKMT2ACA12CA1CA2
SCHEMBL14043101 0.87 TYMP (0.44) TYMPKMT2ACA12CA1CA2
SCHEMBL942630 0.85 LMNA (0.38) TYMPKMT2ACA12CA1CA2
SCHEMBL12427867 0.85 TYMP (0.41) TYMPKMT2ACA12CA1CA2
SCHEMBL15544163 0.83 CYP19A1 (0.32) KCNH2CYP19A1
SCHEMBL12427863 0.83 TYMP (0.41) TYMPKMT2ACA12CA1CA2
SCHEMBL366040 0.83 TYMP (0.41) TYMPKMT2ACA12CA1CA2
SCHEMBL16343122 0.81
SCHEMBL16342941 0.80 ALDH1A1 (0.38) CYP19A1

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 TYMP 2832/4885KMT2A 2366/4885CA12 300/4885

“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.