SCHEMBL8217845

SCHEMBL8217845

CNc1nc([C@H]2C[C@H]3C[C@H]3N2C(=O)OC(C)(C)C)cs1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 4/20 0.46
TMIGD3 P0DMS9 1/20 0.37
ADORA1 P30542 1/20 0.37
NTMT1 Q9BV86 1/20 0.37
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
MAPT P10636 1/20 0.33
GPR119 Q8TDV5 2/20 0.32
ECE1 P42892 1/20 0.32
ATAD2 Q6PL18 1/20 0.32
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.31
UCHL1 P09936 1/20 0.31
PREP P48147 2/20 0.31
HSD11B1 P28845 1/20 0.30
RAB9A P51151 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
SCHEMBL13542671 1.00 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL12216519 1.00 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL16356417 1.00 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL8214865 1.00 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL8218887 0.77 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL8224989 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL12216523 0.72 ADAM17 (0.46) ADAM17TMIGD3ADORA1NTMT1KDM4E
SCHEMBL4239369 0.70 USP30 (0.34) ALDH1A1RAB9A
SCHEMBL17249897 0.68 CHRM2 (0.35) CHRM2CHRM1CHRM3GPR119DPP4
SCHEMBL14790426 0.68 CHRM2 (0.35) CHRM2CHRM1CHRM3GPR119DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7638513-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2009-12-29 US 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 (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-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.