SCHEMBL16615846

SCHEMBL16615846

CCC(C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
SMN1; SMN2 Q16637 3/20 0.70
USP2 O75604 1/20 0.61
KCNQ2 O43526 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
KMT2A Q03164 3/20 0.59
MEN1 O00255 2/20 0.59
HTT P42858 2/20 0.59
HPGD P15428 1/20 0.59
LMNA P02545 1/20 0.59
MAPT P10636 1/20 0.59
ALOX12 P18054 1/20 0.59
MAPK1 P28482 1/20 0.59
ATM Q13315 1/20 0.57

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
SCHEMBL16615511 0.90 KCNQ2 (0.67) ALDH1A1SMN1; SMN2KCNQ2L3MBTL1KMT2A
SCHEMBL16615486 0.89 KCNQ2 (0.66) ALDH1A1SMN1; SMN2KCNQ2KMT2AMEN1
SCHEMBL16615537 0.88 ALDH1A1 (0.60) ALDH1A1SMN1; SMN2KCNQ2KMT2AMEN1
SCHEMBL7653410 0.86 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2USP2L3MBTL1KMT2A
SCHEMBL16615491 0.86 LMNA (0.64) ALDH1A1SMN1; SMN2KCNQ2KMT2AMEN1
SCHEMBL12010889 0.79 ALDH1A1 (0.78) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL9138268 0.78 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2L3MBTL1KMT2AMEN1
SCHEMBL8644045 0.78 ALDH1A1 (0.81) ALDH1A1SMN1; SMN2USP2L3MBTL1KMT2A
SCHEMBL16919774 0.77 KMT2A (0.90) ALDH1A1KMT2AMEN1LMNAMAPK1
SCHEMBL4075002 0.76 L3MBTL1 (1.00) ALDH1A1SMN1; SMN2USP2L3MBTL1KMT2A

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 ALDH1A1 4383/4885SMN1; SMN2 81/4885USP2 3342/4885

“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.