SCHEMBL2461031

SCHEMBL2461031

CCCOc1ccc(F)c2c(=O)c(-c3ccc(OC)cc3)cn(CCNC(=O)[C@H](CCCC(OC(N)=O)C(C)(C)C)NC(=O)OC(C)(C)C)c12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.33
MMP9 P14780 3/20 0.33
PTPN1 P18031 10/20 0.33
PTPN22 Q9Y2R2 2/20 0.33
CCKAR P32238 1/20 0.31
CCKBR P32239 1/20 0.31
AKT1 P31749 1/20 0.31
CXCR3 P49682 1/20 0.30

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
SCHEMBL12175972 0.90 PTPN1 (0.36) PTPN1PTPN22CXCR3
SCHEMBL15986399 0.90 PTPN1 (0.36) PTPN1PTPN22CXCR3
SCHEMBL14353449 0.88 PTPN1 (0.37) MMP2MMP9PTPN1PTPN22AKT1
SCHEMBL14353446 0.88 PTPN1 (0.37) MMP2MMP9PTPN1PTPN22AKT1
SCHEMBL12175886 0.88 SCN9A (0.36) PTPN1PTPN22AKT1
SCHEMBL2584858 0.86 PTPN1 (0.33) MMP2MMP9PTPN1PTPN22AKT1
SCHEMBL2584855 0.86 PTPN1 (0.33) MMP2MMP9PTPN1PTPN22AKT1
SCHEMBL14479942 0.83 CCKBR (0.36) PTPN1PTPN22CCKBRAKT1
SCHEMBL2488543 0.81 SUCNR1 (0.36)
SCHEMBL14353494 0.80 CHRM1 (0.37) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE45108-E1 Quinolone compound and pharmaceutical composition OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2014-09-02 US disclosed
EP-2364298-A1 Quinolone compound and pharmaceutical composition Otsuka Pharmaceutical Co., Ltd. (JP) 2011-09-14 EP disclosed
WO-2010064735-A1 QUINOLONE COMPOUND AND PHARMACEUTICAL COMPOSITION OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-06-10 WO disclosed