SCHEMBL2850161

SCHEMBL2850161

COC(=O)c1cc(N2CC[C@@H](NC(=O)OCc3ccccc3)[C@@H](OC)C2)sc1C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.42
OPRK1 P41145 4/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ABCC2 Q92887 1/20 0.39
TACR1 P25103 2/20 0.39
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
SMPD3 Q9NY59 1/20 0.37

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
SCHEMBL2850159 1.00 CPB1 (0.42) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2848337 0.88 CPB1 (0.41) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2848338 0.88 CPB1 (0.41) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2846255 0.88 CPB1 (0.42) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2846253 0.88 CPB1 (0.42) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2849029 0.85 CPB1 (0.44) CPB1CTSLCTSBCTSKABCC2
SCHEMBL2849025 0.85 CPB1 (0.44) CPB1CTSLCTSBCTSKABCC2
SCHEMBL2851621 0.84 CPB1 (0.40) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2851619 0.84 CPB1 (0.40) CPB1OPRK1CTSLCTSBCTSK
SCHEMBL2844131 0.83 CPB1 (0.43) CPB1OPRK1CTSLCTSBCTSK

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 CPB1 1454/4885OPRK1 3394/4885CTSL 1737/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885OPRK1 3443/4885CTSL 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.