Sugi Predict

Sugi Predict / Compounds / SCHEMBL2822919

SCHEMBL2822919

SCHEMBL2822919

CCCc1nc(N2CC(NC(=O)OC(C)(C)C)C2)sc1C(=O)OCC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 2/20 0.37
▸ BTK Q06187 2/20 0.37
▸ JAK3 P52333 1/20 0.35
▸ PDE10A Q9Y233 2/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ CKS1B P61024 1/20 0.34
▸ SKP1 P63208 1/20 0.34
▸ SKP2 Q13309 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ MAP4K4 O95819 2/20 0.33
▸ TSHR P16473 2/20 0.33
▸ GAA P10253 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ MKNK1 Q9BUB5 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ PARP1 P09874 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
SCHEMBL2823182 0.94 TSHR (0.36) ALDH1A1HPGDBTKJAK3PDE10A
SCHEMBL2823573 0.88 ALDH1A1 (0.43) ALDH1A1HPGDBTKJAK3TSHR
SCHEMBL2822074 0.84 BTK (0.37) ALDH1A1HPGDBTKJAK3PDE10A
SCHEMBL2822610 0.83 BTK (0.39) BTKJAK3PDE10AENPP2CKS1B
SCHEMBL2690420 0.78 ALDH1A1 (0.43) ALDH1A1HPGDTSHRGAAHTT
SCHEMBL2690423 0.78 ALDH1A1 (0.43) ALDH1A1HPGDTSHRGAAHTT
SCHEMBL2690418 0.78 ALDH1A1 (0.43) ALDH1A1HPGDTSHRGAAHTT
SCHEMBL2822395 0.76 OGA (0.43) BTKJAK3PDE10ACKS1BSKP1
SCHEMBL2874255 0.76 GAA (0.33) ALDH1A1HPGDTSHRGAAKDM4E
SCHEMBL3281800 0.76 CKS1B (0.44) ALDH1A1BTKPDE10ACKS1BSKP1

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 1751/4885BTK 3324/4885
US-20140073622-A1 IMIDAZOLE CARBONYL COMPOUND TOP1, TOP2B, TOP2A ALDH1A1 1220/4885HPGD 578/4885BTK 1996/4885

“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.