SCHEMBL4673103

SCHEMBL4673103

Nc1c(F)c(F)c(F)c2c1c(=O)c(C(=O)O)cn2[C@@H]1C[C@@H]1F

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.53
CACNA1F O60840 1/20 0.51
POLB P06746 1/20 0.51
MAPK1 P28482 1/20 0.51
CACNA1D Q01668 1/20 0.51
KCNH2 Q12809 1/20 0.51
CACNA1S Q13698 1/20 0.51
CACNA1C Q13936 1/20 0.51
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
STAT3 P40763 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL8139161 1.00 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL5620413 1.00 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL5619172 1.00 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL9096957 0.90 STAT3 (0.56) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8131449 0.90 STAT3 (0.56) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL8131981 0.90 STAT3 (0.56) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL501142 0.89 GSK3B (0.50) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL14572392 0.89 GSK3B (0.53) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL5236368 0.89 GSK3B (0.50) GSK3BCACNA1FPOLBMAPK1CACNA1D
SCHEMBL4747724 0.87 GSK3B (0.50) GSK3BCACNA1FPOLBMAPK1CACNA1D

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
EP-1304329-B1 Pyridonecarboxylic acid derivatives and their use as antibacterial agents DAIICHI SANKYO CO LTD (JP) 2008-10-15 EP disclosed
US-7186843-B2 potent antibacterial activity against various bacteria including drug-resistant strains DAIICHI PHARMACEUTICAL CO. LTD. (JP) 2007-03-06 US disclosed
EP-1134219-B1 CYCLOALKYL-SUBSTITUTED AMINOMETHYLPYRROLIDINE DERIVATIVES DAIICHI SEIYAKU CO (JP) 2005-06-15 EP 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-6573260-B1 Antibiotics DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-03 US disclosed
EP-0816355-B1 HETEROCYCLIC SPIRO DERIVATIVES DAIICHI SEIYAKU CO (JP) 2003-05-14 EP disclosed
EP-0807630-B1 HETEROCYCLIC COMPOUNDS DAIICHI SEIYAKU CO (JP) 2003-05-07 EP disclosed
US-5703094-A Quinolone- and naphthyridonecarboxylic acid derivatives BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
EP-0721948-B1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1997-12-03 EP disclosed
EP-0807630-A1 HETEROCYCLIC COMPOUNDS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-11-19 EP disclosed
US-5679689-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-10-21 US disclosed
US-5605910-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-02-25 US disclosed
US-5545642-A BACTERICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-13 US disclosed
EP-0721948-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-07-17 EP disclosed
EP-0705828-A1 Quinolone- and naphthyridone carboxylic acid derivatives as antibacterial agents BAYER AG (DE) 1996-04-10 EP disclosed
EP-0704443-A2 Quinolone and naphthyridone carboxylic acid derivatives BAYER AG (DE) 1996-04-03 EP disclosed
WO-1996001262-A1 NOVEL QUINOLINE COMPOUND AND PROCESS FOR PREPARATION THEREOF HANMI PHARMACEUTICAL CO., LTD. (KR) 1996-01-18 WO 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 (1 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-20040209940-A1 Aminomethylpyrrolidine derivatives having aromatic substituents Q6ZSR9, NAT1, NAT10 GSK3B 4658/4885CACNA1F 1627/4885POLB 2509/4885

“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.