Sugi Predict

Sugi Predict / Compounds / SCHEMBL13860

SCHEMBL13860

SCHEMBL13860

NCCCNCc1ccc(-c2c[nH]c(NC(=O)Nc3ccc(F)c(F)c3F)nc2=O)cc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ LYN P07948 2/20 0.33
▸ IGF1R P08069 2/20 0.33
▸ IKBKB O14920 1/20 0.33
▸ CHUK O15111 1/20 0.33
▸ SYK P43405 1/20 0.33
▸ MAPK8 P45983 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ KDR P35968 5/20 0.32
▸ FLT3 P36888 2/20 0.32
▸ ABL1 P00519 1/20 0.32
▸ NTRK1 P04629 1/20 0.32
▸ LCK P06239 1/20 0.32
▸ FYN P06241 1/20 0.32
▸ CSF1R P07333 1/20 0.32
▸ KIT P10721 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
SCHEMBL17354354 0.93 LIMK1 (0.34) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13703 0.90 LYN (0.39) CA12CA1CA2CA9LYN
SCHEMBL13768 0.90 CA12 (0.34) CA12CA1CA2CA9LYN
SCHEMBL13805 0.89 GCGR (0.36) LYNKDRFLT3ABL1NTRK1
SCHEMBL14850233 0.89 RET (0.32) CA12CA1CA2CA9KDR
SCHEMBL17354221 0.89 KDR (0.34) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13571 0.89 ALDH2 (0.39) LYNIGF1RIKBKBCHUKSYK
SCHEMBL17354289 0.88 KDR (0.41) LYNIGF1RIKBKBCHUKSYK
SCHEMBL13729 0.88 KMT2A (0.36) CA12CA1CA2CA9LYN
SCHEMBL17354321 0.88 KDR (0.37) KDRFLT3LCKKITFLT1

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 CA12 3937/4885CA1 4175/4885CA2 3230/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT CA12 3937/4885CA1 4175/4885CA2 3230/4885

“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.