Sugi Predict

Sugi Predict / Compounds / SCHEMBL3197064

SCHEMBL3197064

SCHEMBL3197064

COc1c(N2C[C@@H](N)C3(CC3)C2)c(F)cc2c(=O)c(C(=O)O)cn([C@@H]3C[C@@H]3F)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 4/20 0.54
▸ KDM4E B2RXH2 9/20 0.53
▸ ALDH1A1 P00352 5/20 0.53
▸ HPGD P15428 4/20 0.53
▸ POLB P06746 3/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ OPRM1 P35372 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ PRKD3 O94806 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ CLK2 P49760 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ CYP3A4 P08684 1/20 0.52
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ TOP1 P11387 2/20 0.48
▸ CYP2C19 P33261 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ ATM Q13315 1/20 0.45

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
SCHEMBL29406486 1.00 KCNH2 (0.54) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL5527915 0.99 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
Hydrochloric Acid SCHEMBL5439095 0.98 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL6504574 0.90 KCNH2 (0.67) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL12961917 0.90 KCNH2 (0.53) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL14377772 0.88 KCNH2 (0.40) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL74553 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL21416358 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL13483604 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
Sitafloxacin Anhydrous SCHEMBL1652843 0.87 ALDH1A1 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE41149-E1 Stereoisomerically pure 7-[(7S)-7-amino-5-azaspiro[2.4]heptan-5-yl]-6-fluoro-1-[(1R,2S)-2-fluoro-1-cyclopropyl]-8-methoxy-1,4-dihydro-4-oxo-3-quinolinecarboxylic acid or a pharmaceutically acceptable salt thereof; antibacterial agents DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-02-23 — — US claimed
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2024-07-16 — — US disclosed
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics MELINTA SUBSIDIARY CORP. (US) 2024-07-16 — — US disclosed
EP-2635307-B1 PHARMACEUTICAL COMPOSITIONS MELINTA SUBSIDIARY CORP (US) 2020-07-29 — — EP disclosed
US-9409896-B2 Sustained release pharmaceutical compositions comprising an antibacterial agent MELINTA THERAPEUTICS, INC. (US) 2016-08-09 — — US disclosed
US-9409896-B2 Sustained release pharmaceutical compositions comprising an antibacterial agent MELINTA THERAPEUTICS, INC. (US) 2016-08-09 — — US disclosed
US-20160058750-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA SUBSIDIARY CORP. 2016-03-03 — — US disclosed
US-20160058750-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA SUBSIDIARY CORP. 2016-03-03 — — US disclosed
WO-2014152332-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS MELINTA THERAPEUTICS, INC. (US) 2014-09-25 — — WO disclosed
US-8476429-B2 Tri-, tetra-substituted-3-aminopyrrolidine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-02 — — US disclosed
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-10-08 — — US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 — — US disclosed
US-7563805-B2 7-[3-Amino-3,4-dimethylpyrrolidine-1-yl]-6-fluoro-1-[(1R,2S)-2-fluorocyclopropyl]-1,4-dihydro-8-methyl-4-oxoquinoline-3-carboxylic acid: quinoline bactericide; broad spectrum, strong antibacterial activity for Grampositive/-negative including multiple resistant cocci; side effect reductcion; drug design DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-07-21 — — US disclosed
WO-2008085913-A1 METHODS FOR TREATING, PREVENTING, OR REDUCING THE RISK OF OPTHALMIC, OTIC, AND NASAL INFECTIONS RIB-X PHARMACEUTICALS, INC. (US) 2008-07-17 — — WO disclosed
WO-2008020904-A2 METHOD FOR REDUCING THE RISK OF OR PREVENTING INFECTION DUE TO SURGICAL OR INVASIVE MEDICAL PROCEDURES RIB-X PHARMACEUTICALS, INC. (US) 2008-02-21 — — WO disclosed
US-20070249577-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-25 — — US disclosed
US-20070249577-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-25 — — US disclosed
US-20070238720-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 — — US disclosed
US-20070238719-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 — — US disclosed
US-20070238720-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures RIB-X PHARMACEUTICALS, INC. 2007-10-11 — — US 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 (6 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-20160058750-A1 METHODS OF TREATING INFECTIONS IN OVERWEIGHT AND OBESE PATIENTS USING ANTIBIOTICS NCEH1, NRDC, LPL KCNH2 4200/4885KDM4E 3706/4885ALDH1A1 1703/4885
US-12036219-B2 Methods of treating infections in overweight and obese patients using antibiotics NCEH1, NRDC, LPL KCNH2 4200/4885KDM4E 3706/4885ALDH1A1 1703/4885
US-20070238720-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures MMP8, CLPP, MASP2 KCNH2 1992/4885KDM4E 4066/4885ALDH1A1 1382/4885
US-20070249577-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures MMP8, CLPP, MASP2 KCNH2 1992/4885KDM4E 4066/4885ALDH1A1 1382/4885
US-20070238719-A1 Method for reducing the risk of or preventing infection due to surgical or invasive medical procedures MMP8, CLPP, MASP2 KCNH2 1992/4885KDM4E 4066/4885ALDH1A1 1382/4885
US-20090253726-A1 TRI-, TETRA-SUBSTITUTED-3-AMINOPYRROLIDINE DERIVATIVE AAAS, NPEPPS, TEAD4 KCNH2 2260/4885KDM4E 3137/4885ALDH1A1 3018/4885

“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.