SCHEMBL2980751

SCHEMBL2980751

O=S1(=O)CCN(S(=O)(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.71

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.70
ALDH1A1 P00352 4/20 0.62
CYP2D6 P10635 1/20 0.62
PKM P14618 1/20 0.49
LMNA P02545 2/20 0.47
CHRM1 P11229 1/20 0.46
APEX1 P27695 1/20 0.45
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
NAMPT P43490 1/20 0.42
CHRM5 P08912 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL29279181 0.84 POLB (0.74) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL23089669 0.84 POLB (0.90) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL2977562 0.84 POLB (0.97) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL3203109 0.83 POLB (0.72) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL14134639 0.83 POLB (1.00) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL30693019 0.80 POLB (0.72) POLBALDH1A1CYP2D6LMNAGAA
SCHEMBL3633802 0.80 POLB (0.72) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL3149654 0.80 POLB (0.72) POLBALDH1A1CYP2D6LMNAGAA
SCHEMBL4063776 0.78 POLB (0.74) POLBALDH1A1CYP2D6PKMLMNA
SCHEMBL12751726 0.78 POLB (0.68) POLBALDH1A1CYP2D6LMNAL3MBTL1

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 4 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
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 POLB 534/4885ALDH1A1 3844/4885CYP2D6 1256/4885

“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.