Sugi Predict

Sugi Predict / Compounds / SCHEMBL13849

SCHEMBL13849

SCHEMBL13849

O=C(O)CCNCc1ccc(-c2c[nH]c(NC(=O)Nc3cc(F)c(F)cc3F)nc2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 13/20 0.39
▸ HPSE Q9Y251 2/20 0.36
▸ LYN P07948 2/20 0.33
▸ PLK4 O00444 1/20 0.33
▸ AURKA O14965 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ NTRK1 P04629 1/20 0.33
▸ LCK P06239 1/20 0.33
▸ CDK1 P06493 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ MET P08581 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ PRKACA P17612 1/20 0.33
▸ FLT1 P17948 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ FLT4 P35916 1/20 0.33
▸ KDR P35968 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
SCHEMBL14850206 0.95 S1PR1 (0.38) S1PR1HPSELYNPLK4AURKA
SCHEMBL17354299 0.93 S1PR1 (0.39) S1PR1HPSEROCK2FLT1KDR
SCHEMBL13728 0.90 KDR (0.34) HPSELYNPLK4AURKAROCK2
SCHEMBL13637 0.89 LYN (0.36) HPSELYNPLK4AURKAROCK2
SCHEMBL13760 0.89 LYN (0.33) HPSELYNPLK4AURKAROCK2
SCHEMBL13990 0.87 NAMPT (0.38) HPSELYNPLK4AURKAROCK2
SCHEMBL14850203 0.87 ALDH1A1 (0.38) KDRROCK1
SCHEMBL14069 0.86 LYN (0.34) HPSELYNPLK4AURKAROCK2
SCHEMBL13835 0.86 HTT (0.36) HPSELYNPLK4AURKAROCK2
SCHEMBL14093 0.85 HDAC1 (0.37) HPSELYNPLK4AURKAROCK2

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 S1PR1 3139/4885HPSE 1742/4885LYN 3581/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT S1PR1 3139/4885HPSE 1742/4885LYN 3581/4885

“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.