SCHEMBL16615520

SCHEMBL16615520

CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
POLB P06746 2/20 0.66
GAA P10253 2/20 0.66
NPSR1 Q6W5P4 1/20 0.66
TSHR P16473 1/20 0.63
CA12 O43570 3/20 0.62
CA9 Q16790 3/20 0.62
CA1 P00915 2/20 0.62
L3MBTL1 Q9Y468 1/20 0.61
ALDH1A1 P00352 3/20 0.60
KMT2A Q03164 5/20 0.58
MEN1 O00255 3/20 0.58
ESR1 P03372 1/20 0.58
CTDSP1 Q9GZU7 1/20 0.58
HTT P42858 1/20 0.57
RORC P51449 1/20 0.54
RAB9A P51151 1/20 0.54
TP53 P04637 1/20 0.53

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) MAPTPOLBGAANPSR1CA12
SCHEMBL4189849 0.80 CA9 (0.68) MAPTPOLBGAANPSR1CA12
SCHEMBL17947763 0.80 CA9 (0.90) MAPTPOLBGAANPSR1CA12
SCHEMBL11887676 0.78 TSHR (1.00) MAPTGAATSHRCA12CA9
SCHEMBL17947747 0.77 RORC (0.65) MAPTPOLBGAANPSR1CA12
SCHEMBL16299060 0.77 ALDH1A1 (0.64) MAPTNPSR1CA12CA9CA1
SCHEMBL16615809 0.76 NPSR1 (0.81) MAPTPOLBGAANPSR1CA12
SCHEMBL4228166 0.76 L3MBTL1 (1.00) MAPTPOLBGAANPSR1TSHR
SCHEMBL16615494 0.76 CA12 (0.70) MAPTPOLBGAANPSR1CA12
SCHEMBL3686570 0.76 FFAR1 (0.56) CA12CA9CA1RORCRAB9A

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 MAPT 417/4885POLB 128/4885GAA 797/4885

“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.