SCHEMBL2984058

SCHEMBL2984058

CN(C1CCS(O)(O)CC1)S(=O)(=O)c1ccc(Cl)nc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
MAPT P10636 1/20 0.48
HTR2A P28223 9/20 0.47
HTR2C P28335 9/20 0.47
L3MBTL1 Q9Y468 5/20 0.47
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
GAA P10253 2/20 0.43
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2984060 0.88 L3MBTL1 (0.51) SMN1; SMN2MAPTHTR2AHTR2CL3MBTL1
SCHEMBL6697256 0.88 SMN1; SMN2 (0.58) SMN1; SMN2MAPTHTR2AHTR2CL3MBTL1
SCHEMBL2985526 0.74 ALDH1A1 (0.71) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL671244 0.72 SMN1; SMN2 (0.69) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL2986426 0.72 L3MBTL1 (0.36) SMN1; SMN2MAPTHTR2AHTR2CL3MBTL1
SCHEMBL2993304 0.71 IKBKB (0.66)
SCHEMBL2991769 0.69 ALDH1A1 (0.64) SMN1; SMN2ALDH1A1MEN1KMT2AGAA
SCHEMBL26931067 0.69 ALDH1A1 (0.61) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL15258832 0.68 ALDH1A1 (0.52) SMN1; SMN2MAPTHTR2AHTR2CL3MBTL1
SCHEMBL6701096 0.67 SMN1; SMN2 (0.61) SMN1; SMN2MAPTL3MBTL1ALDH1A1MEN1

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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 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-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS NFKBIA, PACSIN2, MAP3K2 SMN1; SMN2 4075/4885MAPT 3186/4885HTR2A 3491/4885

“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.