SCHEMBL2853434

SCHEMBL2853434

CN(C)[C@H]1CN(C(=O)O)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.48
CPB1 P15086 2/20 0.48
CTSL P07711 1/20 0.48
CTSB P07858 1/20 0.48
TSHR P16473 1/20 0.47
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
DPP4 P27487 5/20 0.46
DPP7 Q9UHL4 5/20 0.46
KCNH2 Q12809 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SIGMAR1 Q99720 1/20 0.43

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
SCHEMBL2853435 1.00 CTSK (0.48) CTSKCPB1CTSLCTSBTSHR
SCHEMBL2855355 0.88 JAK2 (0.51) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL2855357 0.88 JAK2 (0.51) CTSKCPB1CTSLCTSBHSD11B1
SCHEMBL23209364 0.85 CTSK (0.51) CTSKCPB1CTSLCTSBTSHR
SCHEMBL21522663 0.84 CTSK (0.60) CTSKCPB1CTSLCTSBTSHR
SCHEMBL29268591 0.84 CTSK (0.60) CTSKCPB1CTSLCTSBTSHR
SCHEMBL29268593 0.84 CTSK (0.60) CTSKCPB1CTSLCTSBTSHR
SCHEMBL21306746 0.83 PDE4B (0.53) CTSKHSD11B1SMN1; SMN2CYP2C19NPC1
SCHEMBL21312052 0.83 PDE4B (0.53) CTSKHSD11B1SMN1; SMN2CYP2C19NPC1
SCHEMBL21294755 0.83 PDE4B (0.53) CTSKHSD11B1SMN1; SMN2CYP2C19NPC1

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
EP-2226322-B1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO CO LTD (JP) 2015-01-21 EP disclosed
US-8927588-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2015-01-06 US disclosed
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-03-13 US disclosed
US-8536197-B2 Imidazole carbonyl compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-09-17 US disclosed
US-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-12-09 US disclosed
EP-2226322-A1 IMIDAZOLE CARBONYL COMPOUND Daiichi Sankyo Company, Limited (JP) 2010-09-08 EP 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-20100311966-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CTSK 1636/4885CPB1 1454/4885CTSL 1737/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CTSK 2142/4885CPB1 474/4885CTSL 1294/4885

“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.