SCHEMBL29978631

SCHEMBL29978631

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2N2CCCCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.66
GAA P10253 4/20 0.66
HTT P42858 2/20 0.66
L3MBTL1 Q9Y468 2/20 0.61
PKM P14618 1/20 0.61
MCOLN3 Q8TDD5 1/20 0.61
MCOLN2 Q8IZK6 1/20 0.56
KDM4E B2RXH2 3/20 0.55
LMNA P02545 2/20 0.55
HPGD P15428 1/20 0.55
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
MAPT P10636 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
ATM Q13315 1/20 0.53
ERAP1 Q9NZ08 1/20 0.52
POLB P06746 2/20 0.51
KMO O15229 2/20 0.51

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
SCHEMBL23057105 1.00 ALDH1A1 (0.66) ALDH1A1GAAHTTL3MBTL1PKM
SCHEMBL29978266 0.87 MCOLN2 (0.57) ALDH1A1GAAHTTL3MBTL1PKM
SCHEMBL29978643 0.87 MCOLN2 (0.57) ALDH1A1GAAHTTL3MBTL1PKM
SCHEMBL23057225 0.87 GAA (0.64) ALDH1A1GAAHTTL3MBTL1MCOLN2
SCHEMBL23057220 0.86 ALDH1A1 (0.53) ALDH1A1GAAHTTL3MBTL1PKM
SCHEMBL29978501 0.85 L3MBTL1 (0.63) ALDH1A1GAAHTTL3MBTL1MCOLN2
SCHEMBL23057187 0.84 ALDH1A1 (0.67) ALDH1A1GAAHTTL3MBTL1MCOLN2
SCHEMBL29979656 0.83 ALDH1A1 (0.69) ALDH1A1GAAHTTL3MBTL1MCOLN3
SCHEMBL29978040 0.83 MCOLN2 (0.53) ALDH1A1GAAHTTL3MBTL1PKM
SCHEMBL29979693 0.83 GAA (0.65) ALDH1A1GAAHTTL3MBTL1MCOLN2

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 ALDH1A1 1368/4885GAA 154/4885HTT 1333/4885

“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.