SCHEMBL23044597

SCHEMBL23044597

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCOLN3 Q8TDD5 3/20 0.51
MCOLN2 Q8IZK6 3/20 0.51
MCOLN1 Q9GZU1 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
GAA P10253 2/20 0.46
BRPF1 P55201 2/20 0.44
PTGES2 Q9H7Z7 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TSHR P16473 2/20 0.41
HTT P42858 1/20 0.41
HTR6 P50406 2/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.40
CCR5 P51681 1/20 0.40

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
SCHEMBL23355039 0.94 MCOLN2 (0.47) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL29979302 0.93 L3MBTL1 (0.47) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057094 0.93 L3MBTL1 (0.47) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057037 0.91 MCOLN2 (0.48) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL29978291 0.91 MCOLN2 (0.48) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057335 0.90 MCOLN3 (0.47) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23379508 0.87 MCOLN3 (0.56) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057145 0.87 L3MBTL1 (0.53) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23355009 0.87 MCOLN2 (0.51) MCOLN3MCOLN2MCOLN1L3MBTL1PKM
SCHEMBL23057166 0.86 MCOLN3 (0.52) MCOLN3MCOLN2MCOLN1L3MBTL1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US disclosed
US-20220315548-A1 SMALL MOLECULE AGONISTS OF MUCOLIPIN 1 AND USES THEREOF NATIONAL CENTER FOR ADVANCING TRANSLATIONAL SCIENCES 2022-10-06 US disclosed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO disclosed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP 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 (2 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 MCOLN3 3/4885MCOLN2 2/4885MCOLN1 1/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 MCOLN3 12/4885MCOLN2 10/4885MCOLN1 7/4885

“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.