Sugi Predict

Sugi Predict / Compounds / SCHEMBL13687

SCHEMBL13687

SCHEMBL13687

NCCCNCc1c(F)cc(-c2c[nH]c(NC(=O)Nc3ccccc3OC(F)(F)F)nc2=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ IDH2 P48735 1/20 0.39
▸ KDR P35968 4/20 0.38
▸ KIT P10721 2/20 0.38
▸ FLT3 P36888 2/20 0.38
▸ ABL1 P00519 1/20 0.35
▸ NAMPT P43490 1/20 0.34
▸ RORC P51449 2/20 0.33
▸ IDH1 O75874 1/20 0.33
▸ P2RY1 P47900 2/20 0.33
▸ IGF1R P08069 1/20 0.33
▸ DGAT1 O75907 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 2/20 0.33
▸ CD274 Q9NZQ7 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ CXCR2 P25025 1/20 0.32

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
SCHEMBL14147 0.91 KDR (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL13749 0.89 KDR (0.42) IDH2KDRKITFLT3ABL1
SCHEMBL13774 0.88 IDH2 (0.36) IDH2KDRKITFLT3ABL1
SCHEMBL14850252 0.88 KDR (0.39) IDH2KDRKITFLT3ABL1
SCHEMBL13706 0.87 KIT (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL13678 0.87 IDH2 (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL14144 0.86 KDR (0.38) IDH2KDRKITFLT3ABL1
SCHEMBL13677 0.85 IDH1 (0.37) IDH2KDRKITFLT3ABL1
SCHEMBL13690 0.83 CA12 (0.33) IGF1R
SCHEMBL14071 0.83 MEN1 (0.37) —

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

“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.