SCHEMBL2856622

SCHEMBL2856622

NC1CCN(C(=O)O)CC1NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
GAA P10253 1/20 0.53
CPB1 P15086 2/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSK P43235 1/20 0.52
DPP4 P27487 6/20 0.52
DPP7 Q9UHL4 6/20 0.52
KCNH2 Q12809 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
TSHR P16473 1/20 0.51
HSD11B1 P28845 1/20 0.50
CYP2C19 P33261 1/20 0.49
KDM1A O60341 1/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46

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
SCHEMBL2856617 1.00 ALDH1A1 (0.53) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL28701934 0.92 ALDH1A1 (0.52) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2850678 0.92 ALDH1A1 (0.52) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2850674 0.92 ALDH1A1 (0.52) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL20479723 0.89 ALDH1A1 (0.53) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL18342411 0.89 ALDH1A1 (0.53) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL18342179 0.89 ALDH1A1 (0.53) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL19816607 0.88 CTSK (0.52) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL25355784 0.87 CPB1 (0.51) ALDH1A1GAACPB1CTSLCTSB
SCHEMBL2851467 0.86 NPC1 (0.49) ALDH1A1GAACPB1DPP4DPP7

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 ALDH1A1 3596/4885GAA 1609/4885CPB1 1454/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885GAA 1089/4885CPB1 474/4885

“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.