SCHEMBL16367358

SCHEMBL16367358

CC(=O)OC1C(COS(=O)(=O)c2ccc(C)cc2)OC(n2cnc([N+](=O)[O-])c2)C1OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 17/20 0.40
CA1 P00915 16/20 0.40
CA2 P00918 16/20 0.40
CA12 O43570 11/20 0.40
CA14 Q9ULX7 11/20 0.40
PTGS2 P35354 1/20 0.38

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
SCHEMBL16367361 0.87 CA9 (0.40) CA9CA1CA2CA12CA14
SCHEMBL16367335 0.84 ATG7 (0.37) CA9CA1CA2
SCHEMBL15183379 0.81 CA1 (0.39) CA9CA1CA2CA12CA14
SCHEMBL16367315 0.81 LMNA (0.38) CA9CA1CA2CA12CA14
SCHEMBL16367330 0.81 EGFR (0.41) CA9CA1CA2CA12CA14
SCHEMBL15607880 0.81 CA1 (0.38) CA9CA1CA2CA12CA14
SCHEMBL16367367 0.80 CA1 (0.38) CA9CA1CA2CA12CA14
SCHEMBL15607943 0.76 TSHR (0.47) CA1CA2CA12
SCHEMBL11731010 0.74 CA2 (0.48) CA9CA1CA2CA12
SCHEMBL18214993 0.74 CA2 (0.48) CA9CA1CA2CA12

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 CA9 230/4885CA1 289/4885CA2 215/4885

“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.