SCHEMBL13852

SCHEMBL13852

O=C(Nc1nc(=O)c(-c2ccc(CNCC(O)CO)cc2)c[nH]1)Nc1cc(F)c(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
HPSE Q9Y251 3/20 0.33
PNP P00491 2/20 0.32
KDR P35968 4/20 0.32
ALDH2 P05091 1/20 0.32
LYN P07948 2/20 0.31
FLT1 P17948 2/20 0.31
PLK4 O00444 1/20 0.31
AURKA O14965 1/20 0.31
ROCK2 O75116 1/20 0.31
NTRK1 P04629 1/20 0.31
LCK P06239 1/20 0.31
CDK1 P06493 1/20 0.31
CSF1R P07333 1/20 0.31
MET P08581 1/20 0.31
FGFR1 P11362 1/20 0.31
PRKACA P17612 1/20 0.31
RPS6KB1 P23443 1/20 0.31

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
SCHEMBL17354167 0.93 KDR (0.33) MAPK14PDCD1CD274HPSEKDR
SCHEMBL13990 0.86 NAMPT (0.38) MAPK14HPSEKDRALDH2LYN
SCHEMBL13728 0.85 KDR (0.34) HPSEKDRALDH2LYNFLT1
SCHEMBL14093 0.85 HDAC1 (0.37) HPSEKDRALDH2LYNFLT1
SCHEMBL13849 0.85 S1PR1 (0.39) HPSEKDRLYNFLT1PLK4
SCHEMBL13760 0.85 LYN (0.33) HPSEKDRALDH2LYNFLT1
SCHEMBL13637 0.85 LYN (0.36) HPSEKDRALDH2LYNFLT1
SCHEMBL17354171 0.84 KDM4E (0.39) PDCD1CD274KDRFLT3VSIR
SCHEMBL14850206 0.83 S1PR1 (0.38) HPSEKDRLYNFLT1PLK4
SCHEMBL13854 0.83 PIM1 (0.33) HPSEKDRALDH2LYNFLT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-9845297-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2017-12-19 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME SILICON VALLEY BANK 2016-02-04 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-9216979-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-12-22 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
US-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2013-04-11 US disclosed
WO-2011047323-A2 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME RIB-X PHARMACEUTICALS, INC. (US) 2011-04-21 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 (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-20130090326-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT MAPK14 3714/4885PDCD1 2800/4885CD274 3478/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT MAPK14 3714/4885PDCD1 2800/4885CD274 3478/4885

“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.