SCHEMBL483136

SCHEMBL483136

COc1c(F)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 0.46
KDM4E B2RXH2 7/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
POLB P06746 1/20 0.45
PRKD3 O94806 1/20 0.45
ALOX15 P16050 1/20 0.45
OPRM1 P35372 1/20 0.45
CLK2 P49760 1/20 0.45
CLK4 Q9HAZ1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
TOP2A P11388 2/20 0.41
TOP2B Q02880 2/20 0.41
CYP2C19 P33261 1/20 0.40

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
SCHEMBL2081131 1.00 CYP3A4 (0.60) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL4747704 0.89 CYP3A4 (0.60) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL2080449 0.86 CYP3A4 (0.49) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL2080448 0.86 CYP3A4 (0.49) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL116421 0.86 KCNH2 (0.60) KCNH2GSK3BKDM4EHPGDALDH1A1
SCHEMBL5874117 0.85 CYP3A4 (0.52) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL6957083 0.85 CYP3A4 (0.52) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL5874122 0.85 CYP3A4 (0.52) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL12427275 0.85 CYP3A4 (0.52) CYP3A4KCNH2GSK3BKDM4EHPGD
SCHEMBL483163 0.85 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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021081267-A1 QUINOLONE CARBOXYLIC DERIVATIVES TAIGEN BIOTECHNOLOGY CO., LTD (TW) 2021-04-29 WO disclosed
EP-2130827-B1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2012-02-01 EP disclosed
US-7915418-B2 Intermediates and process for the production of optically active quinolonecarboxylic acid derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-29 US disclosed
US-7902226-B2 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2011-03-08 US disclosed
US-7875722-B2 having high antibacterial activity and high safety, at high yield and in a simple manner; one-pot process DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-01-25 US disclosed
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2010-03-18 US disclosed
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-03-11 US disclosed
EP-2130827-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-12-09 EP disclosed
US-7626029-B2 Into a difluorobenzoic acid, for producting quinolonecarboxylic acid serving as synthetic antibacterial agent, medicament, agricultural chemical, or veterinary drug; ionic liquid solvents DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-12-01 US disclosed
EP-1336611-B1 DEHALOGENO COMPOUNDS DAIICHI SEIYAKU CO (JP) 2007-09-05 EP disclosed
US-20070123560-A1 Dehalogeno-compounds DAIICHI PHARMACEUTICAL CO., LTD. 2007-05-31 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents DAIICHI PHARMACEUTICAL CO., LTD. 2004-10-21 US disclosed
US-6762181-B1 BROAD ANTIBACTERIAL ACTIVITY INCLUDING DRUG RESISTANT STAPHYLOCOCCUS AUREUS (MRSA), PNEUMOCOCCUS (PRSP) AND ENTEROCOCCUS (VRE); SAFELY USED IN CONJUCTION WITH NONSTEROIDAL ANTIINFLAMMATORY DRUGS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-07-13 US disclosed
EP-1182202-B1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI SEIYAKU CO (JP) 2004-06-02 EP disclosed
US-20040063754-A1 Dehalogeno compounds DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-01 US disclosed
EP-1336611-A1 DEHALOGENO COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-08-20 EP disclosed
EP-1182202-A1 AMINOMETHYLPYRROLIDINE DERIVATIVES HAVING AROMATIC SUBSTITUENTS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-02-27 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-20040063754-A1 Dehalogeno compounds DEK, PGLS, RPS27L CYP3A4 198/4885KCNH2 1597/4885GSK3B 4077/4885
US-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 CYP3A4 1184/4885KCNH2 192/4885GSK3B 4658/4885
US-20100069435-A1 METHOD OF SELECTIVELY INTRODUCING AMINO SUBSTITUENT ASNS, DDC, NQO2 CYP3A4 140/4885KCNH2 2726/4885GSK3B 3416/4885
US-20100063279-A1 METHOD FOR PRODUCING QUINOLONE CARBOXYLIC ACID DERIVATIVE NQO2, QPCT, QARS1 CYP3A4 130/4885KCNH2 2705/4885GSK3B 2744/4885
US-20070123560-A1 Dehalogeno-compounds DEK, RPS27L, POLL CYP3A4 277/4885KCNH2 1059/4885GSK3B 4018/4885

“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.