SCHEMBL8224989

SCHEMBL8224989

CNc1nc([C@H]2C=CCN2C(=O)OC(C)(C)C)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 2/20 0.46
TMIGD3 P0DMS9 1/20 0.38
ADORA1 P30542 1/20 0.38
NTMT1 Q9BV86 1/20 0.35
ATAD2 Q6PL18 1/20 0.34
UCHL1 P09936 4/20 0.34
USP30 Q70CQ3 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDM4E B2RXH2 2/20 0.33
MAPT P10636 1/20 0.33
ECE1 P42892 1/20 0.33
LMNA P02545 2/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 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
SCHEMBL12216523 1.00 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL8218887 0.78 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1UCHL1
SCHEMBL8222142 0.73 ADAM17 (0.50) ADAM17TMIGD3ADORA1UCHL1USP30
SCHEMBL13542671 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL8217845 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL12216519 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL8214865 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL16356417 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1ATAD2
SCHEMBL3682586 0.71 GPR119 (0.38) LMNANPSR1MEN1KMT2AGPR119
SCHEMBL31598413 0.71 TRPV3 (0.36) USP30L3MBTL1LMNANPSR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652020-B2 novel hydantoin derivatives to inhibit matrix metalloproteinases (MMPs), a disintegrin and metalloproteases (ADAMs) and/or tumor necrosis factor alpha converting enzyme (TACE) and in so doing prevent the release of tumor necrosis factor alpha (TNF- alpha ); autoimmune diseases; side effect reduction SCHERING CORPORATION (US) 2010-01-26 US disclosed
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US disclosed
US-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases SCHERING CORPORATION 2007-07-19 US disclosed
WO-2007064749-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS AND MICROBIAL DISEASES SCHERING CORPORATION (US) 2007-06-07 WO disclosed
US-20060178366-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2006-08-10 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-20070167426-A1 Compounds for the treatment of inflammatory disorders and microbial diseases MMP12, ADAMTS1, ADAM33 ADAM17 4/4885TMIGD3 1814/4885ADORA1 2962/4885
US-20060178366-A1 Compounds for the treatment of inflammatory disorders MMP12, ADAMTS1, TNF ADAM17 11/4885TMIGD3 2727/4885ADORA1 2899/4885

“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.