SCHEMBL500577

SCHEMBL500577

COc1cccc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.52
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 1/20 0.45
CNR2 P34972 10/20 0.42
DPP4 P27487 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
GSK3B P49841 1/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 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
SCHEMBL4714888 1.00 CYP3A4 (0.52) CYP3A4KDM4EALDH1A1HPGDCNR2
SCHEMBL4712706 0.86 CYP3A4 (0.44) CYP3A4KDM4EALDH1A1HPGDCNR2
SCHEMBL4712708 0.86 CYP3A4 (0.44) CYP3A4KDM4EALDH1A1HPGDCNR2
SCHEMBL4713048 0.85 KDM4E (0.52) CYP3A4KDM4EALDH1A1HPGDDPP4
SCHEMBL4713047 0.85 KDM4E (0.52) CYP3A4KDM4EALDH1A1HPGDDPP4
SCHEMBL4714374 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDCNR2DPP4
SCHEMBL29793501 0.84 KDM4E (0.52) KDM4EALDH1A1HPGDCNR2DPP4
SCHEMBL4747704 0.81 CYP3A4 (0.60) CYP3A4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL483136 0.81 CYP3A4 (0.60) CYP3A4KDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL2081131 0.81 CYP3A4 (0.60) CYP3A4KDM4EALDH1A1HPGDSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP claimed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US claimed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 EP claimed
US-8106072-B2 7- (4-substituted-3-cyclopropylaminomethyl-1-pyrrolidinyl) quinolonecarboxylic acid derivative KYORIN PHARMACEUTICAL CO., LTD. (JP) 2012-01-31 US disclosed
EP-1262477-B1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI SANKYO CO LTD (JP) 2008-09-03 EP disclosed
US-7176313-B2 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-02-13 US disclosed
US-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-06-26 US disclosed
EP-1262477-A1 ANTI-ACID-FAST BACTERIAL AGENTS CONTAINING PYRIDONECARBOXYLIC ACIDS AS THE ACTIVE INGREDIENT DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2002-12-04 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 (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-20030119848-A1 Anti acid-fast bacterial agent containing pyridonecarboxylic acids as active ingredient PGD, PPA1, FASTKD1 CYP3A4 2617/4885KDM4E 3677/4885ALDH1A1 800/4885

“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.