(S)-Gatifloxacin

(S)-Gatifloxacin

SCHEMBL3565686

COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.COc1c(N2CCN[C@@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12.O

nearest known ligand 0.98

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

gyrAgyrBparCparE

The experimentally established mechanism targets of (S)-Gatifloxacin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.98
ALDH1A1 P00352 7/20 0.98
HPGD P15428 6/20 0.98
KCNH2 Q12809 4/20 0.98
HSD17B10 Q99714 4/20 0.98
POLB P06746 3/20 0.98
TDP1 Q9NUW8 2/20 0.98
OPRM1 P35372 2/20 0.98
PRKD3 O94806 1/20 0.98
ALOX15 P16050 1/20 0.98
CLK2 P49760 1/20 0.98
CLK4 Q9HAZ1 1/20 0.98
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
LMNA P02545 2/20 0.67
CYP2C19 P33261 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
PMP22 Q01453 1/20 0.60
NPSR1 Q6W5P4 1/20 0.60
ATM Q13315 1/20 0.58

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
(S)-Gatifloxacin SCHEMBL1380257 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
Gatifloxacin SCHEMBL982406 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
Gatifloxacin SCHEMBL29765369 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
Gatifloxacin SCHEMBL3565683 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
Gatifloxacin SCHEMBL4818151 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL4818160 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL1046589 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
Gatifloxacin SCHEMBL1380256 1.00 KDM4E (0.98) KDM4EALDH1A1HPGDKCNH2HSD17B10
(R)-Gatifloxacin SCHEMBL5670068 0.99 KDM4E (1.00) KDM4EALDH1A1HPGDKCNH2HSD17B10
(S)-Gatifloxacin SCHEMBL30910969 0.99 KDM4E (1.00) KDM4EALDH1A1HPGDKCNH2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7396839-B2 Crystalline forms of gatifloxacin TEVA PHARMACEUTICALS USA, INC. (US) 2008-07-08 US claimed
US-20060252772-A1 Novel crystalline forms of gatifloxacin and processes for preparation TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2006-11-09 US claimed
US-20060247255-A1 Method for preparing a stable gatifloxacin composition PATEL SATISHKUMAR A 2006-11-02 US claimed
CN-1688310-A Novel crystalline forms of gatifloxacin TEVA PHARMA (IL) 2005-10-26 CN claimed
CN-1665504-A Novel crystalline forms of gatifloxacin TEVA PHARMA (IL) 2005-09-07 CN claimed
EP-1545530-A1 NOVEL CRYSTALLINE FORMS OF GATIFLOXACIN Teva Pharmaceutical Industries Limited (IL) 2005-06-29 EP claimed
EP-1485097-A1 CRYSTALLINE FORMS OF GATIFLOXACIN AND PROCESSES FOR PREPARATION Teva Pharmaceutical Industries Limited (IL) 2004-12-15 EP claimed
WO-2004101547-A1 PURIFICATION METHODS OF GATIFLOXACIN AND A NOVEL FORM OF GATIFLOXACIN HETERO DRUGS LIMITED (IN) 2004-11-25 WO claimed
US-20040192700-A1 Novel crystalline forms of gatifloxacin TEVA PHARMACEUTICALS USA, INC. 2004-09-30 US claimed
US-20040171621-A1 Novel crystalline forms of gatifloxacin and processes for preparation TEVA PHARMACEUTICALS USA, INC. 2004-09-02 US claimed
WO-2004054583-A1 CRYSTALLINE FORMS OF GATIFLOXACIN AND PROCESSES FOR PREPARATION TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-07-01 WO claimed
WO-2004012739-A1 NOVEL CRYSTALLINE FORMS OF GATIFLOXACIN TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2004-02-12 WO claimed
US-20230001128-A1 AEROSOLIZATION SYSTEMS, METHODS, AND APPARATUSES SHUSTER GARY STEPHEN (CA) 2023-01-05 US disclosed
US-7781585-B2 A crystalline form X, Y, Z of Gatifloxacindissolving gatifloxacin in methanol, removing insoluble, adding a base ( triethylamine or diisopropylethylamine), maintaining the reaction mixture at an appropriate temperature, cooling, isolating and drying; bactericides MATRIX LABORATORIES LTD (IN) 2010-08-24 US disclosed
US-20080199537-A1 TOPICAL GATIFLOXACIN FORMULATIONS ALCON RESEARCH, LTD. (US) 2008-08-21 US disclosed
US-7396839-B2 Crystalline forms of gatifloxacin TEVA PHARMACEUTICALS USA, INC. (US) 2008-07-08 US disclosed
EP-1326612-A1 GATIFLOXACIN PENTAHYDRATE BRISTOL-MYERS SQUIBB COMPANY (US) 2003-07-16 EP disclosed
US-6413969-B1 HIGHLY HOMOGENEOUS FORM; STABLE PHARMACEUTICAL DOSAGE FORMS, INCLUDING AN AQUEOUS SUSPENSION BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
US-20020052379-A1 Gatifloxacin pentahydrate KYORIN PHARMACEUTICAL CO., LTD. (JP) 2002-05-02 US disclosed
WO-2002022126-A1 GATIFLOXACIN PENTAHYDRATE BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-21 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 (4 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-20040192700-A1 Novel crystalline forms of gatifloxacin GATD3, SFPQ, RECQL KDM4E 2124/4885ALDH1A1 4549/4885HPGD 4403/4885
US-20020052379-A1 Gatifloxacin pentahydrate GATD3, CYP2F1, TCOF1 KDM4E 3029/4885ALDH1A1 1013/4885HPGD 928/4885
US-20060252772-A1 Novel crystalline forms of gatifloxacin and processes for preparation GATD3, CRYAB, CRYZ KDM4E 1732/4885ALDH1A1 4658/4885HPGD 2478/4885
US-20040171621-A1 Novel crystalline forms of gatifloxacin and processes for preparation GATD3, CRYAB, CRYZ KDM4E 1732/4885ALDH1A1 4658/4885HPGD 2478/4885

“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.