SCHEMBL29978490

SCHEMBL29978490

CC1CCCCN1c1ccc(F)cc1NS(=O)(=O)c1ccc(S(=O)(=O)N(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
GAA P10253 3/20 0.49
HTT P42858 3/20 0.49
S1PR1 P21453 1/20 0.45
MCOLN2 Q8IZK6 1/20 0.44
KCNH2 Q12809 2/20 0.43
MAPT P10636 3/20 0.42
TP53 P04637 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
PKM P14618 1/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
ATM Q13315 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
BRPF1 P55201 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL23057264 1.00 ALDH1A1 (0.49) ALDH1A1GAAHTTS1PR1MCOLN2
SCHEMBL29979662 0.85 MCOLN2 (0.52) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL29978697 0.85 MCOLN2 (0.52) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL29978631 0.83 ALDH1A1 (0.66) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL23057105 0.83 ALDH1A1 (0.66) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL29978499 0.82 MCOLN2 (0.44) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL23057173 0.82 MCOLN2 (0.44) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL23057220 0.81 ALDH1A1 (0.53) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL23057141 0.78 GAA (0.45) ALDH1A1GAAHTTMCOLN2MAPT
SCHEMBL29978996 0.76 ALDH1A1 (0.44) ALDH1A1GAAHTTMCOLN2MAPT

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.