SCHEMBL5009604

SCHEMBL5009604

CCOP(=O)(OCC)C(c1ccc(NC(=O)COC(=O)c2cn(C3CC3)c3c(OC)c(N4C[C@@H]5CCCN(C(=O)OC(C)(C)C)[C@@H]5C4)c(F)cc3c2=O)cc1)P(=O)(OCC)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.43
HPGD P15428 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNH2 Q12809 3/20 0.42
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
POLB P06746 2/20 0.39
PRKD3 O94806 1/20 0.39
ALOX15 P16050 1/20 0.39
OPRM1 P35372 1/20 0.39
CLK2 P49760 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
GSK3B P49841 1/20 0.33

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
SCHEMBL5007461 0.90 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5006615 0.90 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14010412 0.89 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5007439 0.89 KDM4E (0.43) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5007415 0.86 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL14010378 0.86 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5006660 0.85 KDM4E (0.46) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5007430 0.85 KDM4E (0.45) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5007367 0.83 KDM4E (0.44) KDM4EHPGDALDH1A1HSD17B10MEN1
SCHEMBL5006553 0.83 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20080287396-A1 Phosphonated Fluoroquinolones, Antibacterial Analogs Thereof, and Methods for the Prevention and Treatment of Bone and Joint Infections BPGM, PSPH, PGLS KDM4E 3645/4885HPGD 1656/4885ALDH1A1 4175/4885

“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.