SCHEMBL16615494

SCHEMBL16615494

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.70
CA1 P00915 3/20 0.70
CA9 Q16790 3/20 0.70
RORC P51449 8/20 0.69
CA2 P00918 1/20 0.63
POLB P06746 3/20 0.61
MAPT P10636 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
CTDSP1 Q9GZU7 2/20 0.61
ESR1 P03372 1/20 0.61
NPSR1 Q6W5P4 2/20 0.57
GAA P10253 1/20 0.57
LMNA P02545 3/20 0.55
KCNJ6 P48051 1/20 0.55
KCNJ5 P48544 1/20 0.55
KCNJ3 P48549 1/20 0.55
HTT P42858 3/20 0.55
ALDH1A1 P00352 3/20 0.55
HPGD P15428 1/20 0.55

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
SCHEMBL16615487 0.88 MAPT (0.69) CA12CA1CA9RORCCA2
SCHEMBL28868701 0.81 RORC (1.00) RORC
SCHEMBL10750131 0.78 MEN1 (0.83) CA12CA1CA9CA2POLB
SCHEMBL16615524 0.78 SMN1; SMN2 (0.59) CA12CA1CA9POLBMAPT
SCHEMBL4189849 0.77 CA9 (0.68) CA12CA1CA9CA2POLB
SCHEMBL18416959 0.77 MEN1 (0.68) CA12CA1CA9RORCCA2
SCHEMBL13185620 0.77 MEN1 (0.71) CA12CA1CA9RORCCA2
SCHEMBL17947747 0.77 RORC (0.65) CA12CA1CA9RORCCA2
SCHEMBL17947769 0.76 POLB (1.00) CA12CA1CA9RORCCA2
SCHEMBL5466187 0.76 CA9 (0.67) CA12CA1CA9CA2POLB

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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 US disclosed
US-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF Université de Montréal (CA) 2016-07-28 US disclosed
WO-2015042685-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF VALORISATION-RECHERCHE (CA) 2015-04-02 WO 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-20160213679-A1 INHIBITORS OF POLYNUCLEOTIDE REPEAT-ASSOCIATED RNA FOCI AND USES THEREOF FBL, HNRNPA1, HNRNPUL1 CA12 4882/4885CA1 4853/4885CA9 4861/4885

“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.