Sugi Predict

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SCHEMBL4747701

SCHEMBL4747701

COc1c(C)c(F)c(N)c2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GSK3B P49841 17/20 0.49
▸ TOP2A P11388 1/20 0.46
▸ TOP2B Q02880 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CACNA1F O60840 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CACNA1D Q01668 1/20 0.45
▸ KCNH2 Q12809 1/20 0.45
▸ CACNA1S Q13698 1/20 0.45
▸ CACNA1C Q13936 1/20 0.45

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
SCHEMBL502617 0.92 GSK3B (0.51) GSK3BTOP2ATOP2BCYP3A4CACNA1F
SCHEMBL5783269 0.92 GSK3B (0.51) GSK3BTOP2ATOP2BCYP3A4CACNA1F
SCHEMBL4747724 0.88 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL14572392 0.88 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5236368 0.86 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL501142 0.86 GSK3B (0.50) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5619172 0.82 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL8139161 0.82 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL4673103 0.82 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB
SCHEMBL5620413 0.82 GSK3B (0.53) GSK3BTOP2ATOP2BCACNA1FPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2014-05-22 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20130029977-A9 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2013-01-31 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
US-20120108582-A1 Fused substituted aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED 2012-05-03 — — US disclosed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 — — US disclosed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 — — US 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 (3 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-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 GSK3B 3051/4885TOP2A 89/4885TOP2B 149/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 GSK3B 3051/4885TOP2A 89/4885TOP2B 149/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 GSK3B 3051/4885TOP2A 89/4885TOP2B 149/4885

“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.