SCHEMBL29978641

SCHEMBL29978641

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2c(F)cccc2N2CCC(O)CC2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN2 Q8IZK6 1/20 0.43
PAX8 Q06710 1/20 0.43
MAPT P10636 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
KMO O15229 1/20 0.39
PKM P14618 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPY5R Q15761 1/20 0.38
LMNA P02545 4/20 0.38
THRB P10828 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
SCHEMBL29979685 0.86 MCOLN2 (0.57) MCOLN2PAX8MAPTHTTALDH1A1
SCHEMBL23043735 0.86 MCOLN2 (0.57) MCOLN2PAX8MAPTHTTALDH1A1
SCHEMBL23057166 0.83 MCOLN3 (0.52) MCOLN2HTTSMN1; SMN2ALDH1A1MEN1
SCHEMBL29979661 0.76 GAA (0.51) MCOLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29978619 0.75 MCOLN2 (0.77) MCOLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL23057222 0.75 ALDH1A1 (0.49) MCOLN2MAPTHTTALDH1A1MEN1
SCHEMBL23379508 0.75 MCOLN3 (0.56) MCOLN2HTTSMN1; SMN2ALDH1A1TDP1
SCHEMBL23057145 0.73 L3MBTL1 (0.53) MCOLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL29979001 0.72 MCOLN2 (0.47) MCOLN2MAPTHTTSMN1; SMN2ALDH1A1
SCHEMBL23043701 0.72 L3MBTL1 (0.49) MCOLN2MAPTHTTSMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 MCOLN2 2/4885PAX8 2704/4885MAPT 3427/4885

“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.