SCHEMBL2850052

SCHEMBL2850052

CO[C@H]1CN(c2cc(C(=O)O)ncn2)CC[C@H]1NC(=O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 2/20 0.43
CTSK P43235 2/20 0.41
CTSL P07711 1/20 0.41
CTSB P07858 1/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KMO O15229 1/20 0.38
SMPD3 Q9NY59 1/20 0.38
RET P07949 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
TSHR P16473 1/20 0.37
TACR1 P25103 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
GPR55 Q9Y2T6 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL2850049 1.00 CPB1 (0.43) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2846814 0.94 CPB1 (0.42) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2846811 0.94 CPB1 (0.42) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2824183 0.90 CPB1 (0.43) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2849340 0.80 OPRK1 (0.46) CPB1CTSKCTSLCTSBSMPD3
SCHEMBL2849338 0.80 OPRK1 (0.46) CPB1CTSKCTSLCTSBSMPD3
SCHEMBL2851021 0.80 CPB1 (0.42) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2851024 0.80 CPB1 (0.42) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2854421 0.79 PIK3CA (0.42) CPB1CTSKCTSLCTSBALDH1A1
SCHEMBL2854420 0.79 PIK3CA (0.42) CPB1CTSKCTSLCTSBALDH1A1

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 1454/4885CTSK 1636/4885CTSL 1737/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A CPB1 474/4885CTSK 2142/4885CTSL 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.