SCHEMBL5007378

SCHEMBL5007378

COc1c(N2C[C@@H]3CCCN(C(=O)OC(C)(C)C)[C@@H]3C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.64
ALDH1A1 P00352 5/20 0.64
HPGD P15428 4/20 0.64
HSD17B10 Q99714 2/20 0.64
MEN1 O00255 1/20 0.64
KMT2A Q03164 1/20 0.64
KCNH2 Q12809 4/20 0.60
POLB P06746 3/20 0.60
TDP1 Q9NUW8 3/20 0.60
OPRM1 P35372 2/20 0.60
PRKD3 O94806 1/20 0.60
ALOX15 P16050 1/20 0.60
CLK2 P49760 1/20 0.60
CLK4 Q9HAZ1 1/20 0.60
LMNA P02545 2/20 0.57
CYP2C19 P33261 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
ATM Q13315 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRM2 P08172 1/20 0.46

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
SCHEMBL16020528 1.00 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL18426937 1.00 KDM4E (0.64) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL17808688 0.94 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL21074631 0.93 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL8982745 0.92 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411010 0.92 KDM4E (0.53) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL26931273 0.92 KDM4E (0.59) KDM4EALDH1A1HPGDHSD17B10MEN1
Phosphine SCHEMBL21074677 0.91 KDM4E (0.61) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411089 0.90 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL9411171 0.90 ALDH1A1 (0.58) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998304-B1 METHOD FOR PRODUCING (1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINE-CARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2017-08-30 EP disclosed
US-9556173-B2 Method for preparation of 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid DERKACH NATALIIA MYKOLAIVNA (UA) 2017-01-31 US disclosed
US-9556173-B2 Method for preparation of 1-cyclopropyl-6-fluoro-1,4-dihydro-8-methoxy-7-[(aS,7aS)-octahydro-6H-pyrrolo[3,4-b]pyridin-6-yl]-4-oxo-3-quinolinecarboxylic acid DERKACH NATALIIA MYKOLAIVNA (UA) 2017-01-31 US disclosed
US-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2016-06-09 US disclosed
US-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID DERKACH NATALIIA MYKOLAIVNA (UA) 2016-06-09 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
US-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections TARGANTA THERAPEUTICA INC. (CA) 2008-11-20 US disclosed
EP-1881974-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS Targanta Therapeutics Inc. (CA) 2008-01-30 EP disclosed
WO-2007017762-A2 PHOSPHONATED FLUOROQUINOLONES, ANTIBACTERIAL ANALOGS THEREOF, AND METHODS FOR THE PREVENTION AND TREATMENT OF BONE AND JOINT INFECTIONS TARGANTA THERAPEUTICS INC. (CA) 2007-02-15 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 (2 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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS KDM4E 3645/4885ALDH1A1 4175/4885HPGD 1656/4885
US-20160159788-A1 METHOD FOR PREPARATION OF 1-CYCLOPROPYL-6-FLUORO-1,4-DIHYDRO-8-METHOXY-7-[(4AS,7AS)-OCTAHYDRO-6H-PYRROLO[3,4-B]PYRIDIN-6-YL]-4-OXO-3-QUINOLINECARBOXYLIC ACID HPD, OGFOD1, DHODH KDM4E 185/4885ALDH1A1 726/4885HPGD 520/4885

“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.