SCHEMBL4747704

SCHEMBL4747704

COc1c(C)ccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.60
KCNH2 Q12809 5/20 0.46
GSK3B P49841 2/20 0.42
KDM4E B2RXH2 8/20 0.41
HPGD P15428 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 2/20 0.41
POLB P06746 1/20 0.41
PRKD3 O94806 1/20 0.41
ALOX15 P16050 1/20 0.41
OPRM1 P35372 1/20 0.41
CLK2 P49760 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 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
SCHEMBL483136 0.89 CYP3A4 (0.60) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL2081131 0.89 CYP3A4 (0.60) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL4747718 0.88 CYP3A4 (0.51) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL4747728 0.86 CYP3A4 (0.52) CYP3A4KCNH2KDM4EMEN1KMT2A
SCHEMBL4747712 0.85 KCNH2 (0.61) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL4747726 0.84 CYP3A4 (0.48) CYP3A4KCNH2KDM4EALDH1A1POLB
SCHEMBL13790024 0.82 CYP3A4 (0.51) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL4747705 0.82 CYP3A4 (0.51) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL23298403 0.81 CYP3A4 (0.72) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL12427275 0.81 CYP3A4 (0.52) CYP3A4KCNH2GSK3BKDM4EHPGD

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 12 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-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 US disclosed
US-8222407-B2 Mutilin derivative having heterocyclic aromatic ring carboxylic acid structure in substituent at 14-position KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-07-17 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-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 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 (4 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 CYP3A4 153/4885KCNH2 193/4885GSK3B 3051/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KCNH2 193/4885GSK3B 3051/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 CYP3A4 153/4885KCNH2 193/4885GSK3B 3051/4885
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION PELP1, MLN, SND1 CYP3A4 3135/4885KCNH2 4321/4885GSK3B 4704/4885

“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.