SCHEMBL2982271

SCHEMBL2982271

CC(C)(O)CNS(=O)(=O)c1ccc(Br)s1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.54
MAPK1 P28482 1/20 0.54
TSHR P16473 2/20 0.53
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
RECQL P46063 1/20 0.52
GALR3 O60755 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51
RAB9A P51151 1/20 0.51
ALDH1A1 P00352 3/20 0.51
TDP1 Q9NUW8 1/20 0.49
MAPT P10636 1/20 0.48
GAA P10253 2/20 0.48

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
SCHEMBL6983211 0.82 TSHR (0.49) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL3158236 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL3639378 0.77 SMN1; SMN2 (0.50) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL6991199 0.76 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL1163944 0.76 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL1163936 0.76 SMN1; SMN2 (0.66) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL29222827 0.76 SMN1; SMN2 (0.61) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL1169197 0.75 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1TSHRMEN1KMT2A
SCHEMBL620433 0.75 THRB (0.51) SMN1; SMN2TSHRMEN1KMT2AGALR3
SCHEMBL2653003 0.74 SMN1; SMN2 (0.54) SMN1; SMN2MAPK1TSHRMEN1KMT2A

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 6 patents. 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
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
US-20100179139-A1 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS BAMBOROUGH PAUL 2010-07-15 US disclosed
EP-2162455-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS Glaxo Group Limited (GB) 2010-03-17 EP disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 WO disclosed
WO-2008145688-A2 PYRROLOPYRIDINE COMPOUNDS, PROCESS FOR THEIR PREPARATION, AND THEIR USE AS MEDICAMENTS GLAXO GROUP LIMITED (GB) 2008-12-04 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 (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 4075/4885MAPK1 122/4885TSHR 4753/4885

“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.