SCHEMBL16367367

SCHEMBL16367367

CC(=O)OC1C(COS(=O)(=O)c2ccc(C)cc2)OC(n2cccc2[N+](=O)[O-])C1OC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 16/20 0.38
CA2 P00918 16/20 0.38
CA12 O43570 14/20 0.38
CA9 Q16790 10/20 0.38
CA14 Q9ULX7 8/20 0.38
PTGS2 P35354 1/20 0.37
CA4 P22748 6/20 0.36
CA5A P35218 6/20 0.36
CA7 P43166 6/20 0.36
CA5B Q9Y2D0 6/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL16367404 0.88 CA1 (0.38) CA1CA2CA12CA9CA14
SCHEMBL15607880 0.86 CA1 (0.38) CA1CA2CA12CA9CA14
SCHEMBL15183379 0.85 CA1 (0.39) CA1CA2CA12CA9CA14
SCHEMBL16367403 0.84 L3MBTL1 (0.38)
SCHEMBL16367330 0.82 EGFR (0.41) CA1CA2CA12CA9CA14
SCHEMBL16367416 0.81 LMNA (0.36) CA1CA2CA12CA9CA14
SCHEMBL15607858 0.80 CD69 (0.35) CA1CA2CA12CA9CA14
SCHEMBL16367358 0.80 CA9 (0.40) CA1CA2CA12CA9CA14
SCHEMBL15607943 0.77 TSHR (0.47) CA1CA2CA12CA4CA5A
SCHEMBL18214993 0.76 CA2 (0.48) CA1CA2CA12CA9CA4

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 CA1 289/4885CA2 215/4885CA12 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.