SCHEMBL4137481

SCHEMBL4137481

CCCCS(=O)(=O)N1CCC2(CC1)C(=O)[N]C(=O)N2C

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
CTSD P07339 1/20 0.34
BACE1 P56817 1/20 0.34
SLC6A9 P48067 2/20 0.33
NPC1 O15118 1/20 0.33
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP14 P50281 1/20 0.32
ADAM17 P78536 1/20 0.32
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
EPHX2 P34913 1/20 0.31
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30
DHFR P00374 1/20 0.30

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
SCHEMBL734812 0.70 L3MBTL1 (0.44) MAPTALDH1A1NPC1KDM4EHSD17B10
SCHEMBL7132578 0.70 L3MBTL1 (0.44) MAPTALDH1A1NPC1KDM4EHSD17B10
SCHEMBL6788785 0.68 MAPT (0.44) MAPTALDH1A1NPC1KDM4EHSD17B10
SCHEMBL4136939 0.67 EBP (0.39)
SCHEMBL13013076 0.67 L3MBTL1 (0.41) MAPTALDH1A1NPC1HSD17B10EPHX2
SCHEMBL5256743 0.66 ALDH1A1 (0.42) MAPTALDH1A1CTSDBACE1NPC1
SCHEMBL4137971 0.66 DRD2 (0.38) MMP2MMP9MMP14
SCHEMBL73678 0.66 NPC1 (0.38) MAPTALDH1A1NPC1KDM4EHSD17B10
SCHEMBL1321117 0.65 TSHR (0.44) MAPTALDH1A1CTSDBACE1NPC1
SCHEMBL11888870 0.65 NPC1 (0.39) MAPTALDH1A1SLC6A9NPC1MMP2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases BETSCHART CLAUDIA 2009-02-26 US disclosed
US-7452886-B2 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2008-11-18 US disclosed
EP-1423391-B8 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2007-12-12 EP disclosed
EP-1423391-B1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2006-05-17 EP disclosed
US-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases NOVARTIS AG (CH) 2005-03-10 US disclosed
EP-1423391-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES Novartis AG (CH) 2004-06-02 EP disclosed
WO-2003020721-A1 PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES NOVARTIS AG (CH) 2003-03-13 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 (2 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-20050054851-A1 Pyrrolo pyrimidines as agents for the inhibition of cystein proteases CTSK, CTSS, CTSZ MAPT 2976/4885ALDH1A1 2931/4885CTSD 11/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ MAPT 2976/4885ALDH1A1 2931/4885CTSD 11/4885

“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.