SCHEMBL29979203

SCHEMBL29979203

CN1CCN(c2ccccc2NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
MCOLN3 Q8TDD5 3/20 0.56
MCOLN2 Q8IZK6 1/20 0.56
MCOLN1 Q9GZU1 1/20 0.56
TDP1 Q9NUW8 1/20 0.53
RAD52 P43351 2/20 0.51
HTR6 P50406 5/20 0.49
ALDH1A1 P00352 2/20 0.49
PKM P14618 3/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
DRD3 P35462 2/20 0.46
HTR1A P08908 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR7 P34969 1/20 0.46
DDX3X O00571 1/20 0.46
DRD2 P14416 1/20 0.45
MET P08581 1/20 0.45

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
SCHEMBL23043661 1.00 TSHR (0.60) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL29979713 0.89 MCOLN3 (0.63) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL23043652 0.89 MCOLN3 (0.63) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL23043627 0.88 TSHR (0.60) TSHRMCOLN3MCOLN2MCOLN1RAD52
SCHEMBL29979719 0.88 TSHR (0.60) TSHRMCOLN3MCOLN2MCOLN1RAD52
SCHEMBL14355853 0.87 MCOLN3 (0.71) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL23043731 0.85 MCOLN3 (0.51) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL29978540 0.85 MCOLN3 (0.51) TSHRMCOLN3MCOLN2MCOLN1TDP1
SCHEMBL14355835 0.80 TSHR (0.52) TSHRMCOLN3MCOLN2MCOLN1ALDH1A1
SCHEMBL23057205 0.78 TSHR (0.57) TSHRMCOLN3MCOLN2MCOLN1RAD52

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 TSHR 2343/4885MCOLN3 3/4885MCOLN2 2/4885

“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.