SCHEMBL4747727

SCHEMBL4747727

Cc1ccc2c(=O)c(C(=O)O)cn(C3CC3)c2c1OC(F)F

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.52
TOP2A P11388 6/20 0.45
TOP2B Q02880 6/20 0.45
GSK3B P49841 2/20 0.45
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
PRKD3 O94806 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
OPRM1 P35372 1/20 0.44
CLK2 P49760 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL4747718 0.87 CYP3A4 (0.51) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL12665502 0.87 KCNH2 (0.53) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL2903740 0.87 KCNH2 (0.50) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL4747712 0.86 KCNH2 (0.61) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL5734714 0.83 TOP2A (0.57) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL10330779 0.83 TOP2A (0.56) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL10330771 0.82 TOP2A (0.60) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL4747739 0.81 KCNH2 (0.49) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL5732908 0.81 KCNH2 (0.44) KCNH2TOP2ATOP2BGSK3BKDM4E
SCHEMBL3720416 0.80 TOP2A (0.58) KCNH2TOP2ATOP2BGSK3BKDM4E

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-20110124597-A1 BORON CONTAINING SMALL MOLECULES ANACOR PHARMACEUTICALS, INC. (US) 2011-05-26 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
EP-2149571-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBSTITUENT AT 14-POSITION Kyorin Pharmaceutical Co., Ltd. (JP) 2010-02-03 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 (5 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-20110124597-A1 BORON CONTAINING SMALL MOLECULES BCL6B, BCL6, BLVRB KCNH2 4184/4885TOP2A 737/4885TOP2B 258/4885
US-20120108582-A1 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885
US-20140142096-A1 Fused Substituted Aminopyrrolidine Derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885
US-20130029977-A9 Fused substituted aminopyrrolidine derivative NQO2, QDPR, IL4I1 KCNH2 193/4885TOP2A 89/4885TOP2B 149/4885
US-20100197909-A1 MUTILIN DERIVATIVE HAVING HETEROCYCLIC AROMATIC RING CARBOXYLIC ACID STRUCTURE IN SUBTITUENT AT 14-POSITION PELP1, MLN, SND1 KCNH2 4321/4885TOP2A 3897/4885TOP2B 4117/4885

“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.