SCHEMBL2826528

SCHEMBL2826528

CCOC(=O)c1sc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)nc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.40
HPGD P15428 5/20 0.40
CYP1A2 P05177 1/20 0.37
IGF1R P08069 1/20 0.36
LMNA P02545 2/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
HTT P42858 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
KMT2A Q03164 4/20 0.35
HSD17B10 Q99714 3/20 0.34
MEN1 O00255 2/20 0.34
CDC7 O00311 3/20 0.33
DBF4 Q9UBU7 3/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL2822907 0.82 ALDH1A1 (0.42) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL2827528 0.81 ALDH1A1 (0.43) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL2717495 0.80 ALDH1A1 (0.40) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL2826015 0.76 ALDH1A1 (0.37) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL31214308 0.76 TSHR (0.49) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL28514334 0.73 NPC1 (0.46) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL22900481 0.73 ALDH1A1 (0.46) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL2718805 0.72 MEN1 (0.36) ALDH1A1HPGDLMNANPC1RAB9A
SCHEMBL3402437 0.72 ALDH1A1 (0.65) ALDH1A1HPGDCYP1A2LMNANPC1
SCHEMBL12496166 0.71 CDC7 (0.47) ALDH1A1HPGDKDM4ECDC7DBF4

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 3596/4885HPGD 1751/4885CYP1A2 2031/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885CYP1A2 545/4885

“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.