SCHEMBL9907284

SCHEMBL9907284

Cc1ccc(S(=O)(=O)NCCN(C(CNS(=O)(=O)c2ccc(C)cc2)Cc2ccc(N=O)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CA12 O43570 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX15 P16050 1/20 0.41
GBA1 P04062 1/20 0.41
GAA P10253 1/20 0.40
TSHR P16473 1/20 0.40
USP2 O75604 1/20 0.38
CNR2 P34972 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
SCHEMBL4094207 0.84 MEN1 (0.53) ALDH1A1MEN1KMT2ACA2CA9
SCHEMBL13558569 0.78 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL13558118 0.74 MEN1 (0.50) ALDH1A1MEN1KMT2ACA2CA9
SCHEMBL598551 0.69 ALDH1A1 (0.77) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL8199849 0.67 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL2015532 0.67 ALDH1A1 (0.74) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL6355304 0.66 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL12629636 0.66 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL4581466 0.66 ALDH1A1 (0.71) ALDH1A1MEN1KMT2ACA12CA2
SCHEMBL6130639 0.66 CA12 (0.81) ALDH1A1MEN1KMT2ACA12CA2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS Nordion (Canada) Inc (CA) 2012-11-01 US disclosed
US-8198101-B2 Bifunctional polyazamacrocyclic chelating agents NORDION (CANADA) INC. (CA) 2012-06-12 US disclosed
US-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents MDS (CANADA) INC. (CA) 2009-08-13 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 (2 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-20090202521-A1 Bifunctional Polyazamacrocyclic Chelating Agents LPXN, FCGRT, POLQ ALDH1A1 2764/4885MEN1 691/4885KMT2A 900/4885
US-20120276001-A1 BIFUNCTIONAL POLYAZAMACROCYCLIC CHELATING AGENTS LPXN, FCGRT, F13A1 ALDH1A1 2824/4885MEN1 497/4885KMT2A 999/4885

“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.