SCHEMBL23043569

SCHEMBL23043569

O=S(=O)(Nc1ccccc1N1CCOCC1)c1ccc(S(=O)(=O)C(F)(F)F)cc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
LMNA P02545 6/20 0.61
HTT P42858 1/20 0.59
TDP1 Q9NUW8 1/20 0.57
MCOLN3 Q8TDD5 3/20 0.57
PKM P14618 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
MAPT P10636 3/20 0.56
KDM4E B2RXH2 2/20 0.56
GAA P10253 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
POLB P06746 1/20 0.53
NAMPT P43490 1/20 0.50
MCOLN2 Q8IZK6 1/20 0.49
MCOLN1 Q9GZU1 1/20 0.49
SLC40A1 Q9NP59 1/20 0.48
NPC1 O15118 1/20 0.48

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
SCHEMBL23043740 0.88 MCOLN3 (0.74) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL29978755 0.88 MCOLN3 (0.74) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL23043578 0.85 MCOLN3 (0.57) ALDH1A1LMNAHTTMCOLN3PKM
SCHEMBL29978261 0.85 MCOLN3 (0.57) ALDH1A1LMNAHTTMCOLN3PKM
SCHEMBL23355079 0.81 GAA (0.59) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL23355046 0.77 PKM (0.66) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL23379509 0.77 HTT (0.60) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL27183062 0.76 MCOLN3 (0.57) ALDH1A1LMNAHTTTDP1MCOLN3
SCHEMBL23043608 0.75 MCOLN3 (0.70) ALDH1A1LMNAMCOLN3PKML3MBTL1
SCHEMBL29978847 0.75 MCOLN3 (0.70) ALDH1A1LMNAMCOLN3PKML3MBTL1

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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 WO disclosed
WO-2021041866-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-03-04 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-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF MCOLN1, MCOLN2, MCOLN3 ALDH1A1 1368/4885LMNA 581/4885HTT 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.