SCHEMBL13532

SCHEMBL13532

O=C(O)CCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IDH2 P48735 1/20 0.42
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
S1PR1 P21453 6/20 0.40
NAMPT P43490 1/20 0.39
RORC P51449 6/20 0.39
IGF1R P08069 1/20 0.39
MME P08473 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
DGAT1 O75907 1/20 0.37
ABL1 P00519 1/20 0.36

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
SCHEMBL14096 0.95 IDH2 (0.41) IDH2KITKDRFLT3S1PR1
SCHEMBL14850192 0.91 KDR (0.41) IDH2KITKDRFLT3NAMPT
SCHEMBL14142 0.90 KDR (0.41) IDH2KITKDRFLT3NAMPT
SCHEMBL17485861 0.90 KDR (0.39) IDH2KITKDRFLT3NAMPT
SCHEMBL17485881 0.89 KIT (0.40) IDH2KITKDRFLT3NAMPT
SCHEMBL13749 0.89 KDR (0.42) IDH2KITKDRFLT3NAMPT
SCHEMBL14850231 0.89 KIT (0.40) IDH2KITKDRFLT3NAMPT
SCHEMBL13862 0.88 NAMPT (0.48) IDH2KITKDRFLT3NAMPT
SCHEMBL13974 0.88 NAMPT (0.47) IDH2KITKDRFLT3NAMPT
SCHEMBL14850215 0.87 KIT (0.41) IDH2KITKDRFLT3NAMPT

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 IDH2 3459/4885KIT 3949/4885KDR 4838/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT IDH2 3459/4885KIT 3949/4885KDR 4838/4885

“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.