SCHEMBL29979294

SCHEMBL29979294

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2F)c([N+](=O)[O-])c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.52
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52
LMNA P02545 3/20 0.50
GAA P10253 2/20 0.49
HPGD P15428 1/20 0.49
GUSB P08236 1/20 0.49
PKM P14618 2/20 0.49
POLB P06746 2/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
VCAM1 P19320 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SLC40A1 Q9NP59 1/20 0.47
ACLY P53396 1/20 0.44
NFKBIA P25963 2/20 0.44
RELA Q04206 2/20 0.44
AGTR1 P30556 1/20 0.44
OPRK1 P41145 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL7451030 0.81 PKM (0.64) LMNAGAAGUSBPKMMEN1
SCHEMBL29979314 0.80 MCOLN3 (0.51) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL29978600 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL29978675 0.76 ALDH1A1 (0.64) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL26548006 0.75 ALDH1A1 (0.67) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL23043713 0.73 VCAM1 (0.68) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL18894117 0.72 VCAM1 (0.62) ALDH1A1KDM4EHTTLMNAGAA
SCHEMBL21893366 0.70 CA2 (0.62) ALDH1A1KDM4EHTTLMNAHPGD
SCHEMBL17805683 0.69 PKM (0.71) ALDH1A1GAAGUSBPKMMEN1
SCHEMBL5460836 0.69 DDX3X (0.71) ALDH1A1KDM4EHTTLMNAGAA

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 1368/4885KDM4E 4671/4885HTT 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.