SCHEMBL4154530

SCHEMBL4154530

COCCS(=O)(=O)Nc1cc[c]cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 8/20 0.41
LMNA P02545 3/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
AR P10275 3/20 0.40
PARP14 Q460N5 1/20 0.39
NR3C2 P08235 1/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PGR P06401 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMO O15229 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL2537144 0.80 PGR (0.48) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL1530832 0.79 HPGD (0.44) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL2748552 0.79 HPGD (0.56) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL486249 0.77 HPGD (0.59) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL9297729 0.77 THRA (0.52) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL11822352 0.76 THRA (0.51) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL8982739 0.76 THRA (0.51) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL8091305 0.76 THRA (0.51) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL28047425 0.76 HPGD (0.49) HPGDLMNAHTTSMN1; SMN2AR
SCHEMBL4136916 0.75 AR (0.39) HPGDLMNAHTTSMN1; SMN2AR

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 10 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
CN-100372849-C Pyrrolopyrimidines as cysteine protease inhibitors NOVARTIS AG (CH) 2008-03-05 CN 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
CN-1549817-A Pyrrolo pyrimidines, process for their preparation, their use and pharmaceutical compositions containing them ��˹��ŵ�� 2004-11-24 CN 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
US-5459026-A N-phosphonoalkylindole derivatives FUJI PHOTO FILM CO., LTD. (JP) 1995-10-17 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 (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 HPGD 334/4885LMNA 4184/4885HTT 1803/4885
US-20090054467-A1 Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases CTSK, CTSS, CTSZ HPGD 334/4885LMNA 4184/4885HTT 1803/4885

“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.