SCHEMBL2993949

SCHEMBL2993949

CC(C)(C)OC(=O)N1CCC(NS(=O)(=O)c2ccc(Br)s2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.56
ALDH1A1 P00352 4/20 0.55
HSP90AA1 P07900 1/20 0.55
CCR8 P51685 1/20 0.51
MMP13 P45452 5/20 0.50
MMP1 P03956 2/20 0.50
STS P08842 4/20 0.48
MAPT P10636 2/20 0.48
BRD4 O60885 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL3413300 0.81 STS (0.57) ALDH1A1CCR8MMP13MMP1STS
SCHEMBL15932397 0.80 CCR8 (0.60) ALDH1A1CCR8STSMAPTBRD4
SCHEMBL1348953 0.78 POLB (0.72) HPGDALDH1A1MAPTMAPK1HTT
SCHEMBL266811 0.77 STS (0.58) CCR8STSBRD4
SCHEMBL6195397 0.77 STS (0.58) ALDH1A1CCR8MMP13STSMAPT
SCHEMBL2961651 0.77 MMP13 (0.62) ALDH1A1CCR8MMP13STS
SCHEMBL1563895 0.77 ALDH1A1 (0.54) HPGDALDH1A1MMP13MMP1STS
SCHEMBL21292864 0.76 STS (0.57) ALDH1A1CCR8MMP13MMP1STS
SCHEMBL15504588 0.76 STS (0.55) ALDH1A1CCR8MMP13MMP1STS
SCHEMBL2977630 0.76 KDM4E (0.52) ALDH1A1CCR8STSMAPTBRD4

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 HPGD 930/4885ALDH1A1 3844/4885HSP90AA1 2073/4885

“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.