Sugi Predict

Sugi Predict / Compounds / SCHEMBL13934

SCHEMBL13934

SCHEMBL13934

N=C(N)NCCCNCc1ccc(-c2c[nH]c(NC(=O)NCCc3ccccc3OC(F)(F)F)nc2=O)cc1F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 2/20 0.37
▸ RORC P51449 4/20 0.35
▸ GOT1 P17174 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ RET P07949 5/20 0.33
▸ KDR P35968 4/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ NTRK1 P04629 2/20 0.32
▸ DGAT2 Q96PD7 1/20 0.32
▸ SLC40A1 Q9NP59 1/20 0.31
▸ HSD17B13 Q7Z5P4 1/20 0.31
▸ TRPA1 O75762 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
SCHEMBL13715 0.97 ABL1 (0.37) ABL1RORCGOT1ROCK2ROCK1
SCHEMBL14134 0.92 ABL1 (0.39) ABL1RORCGOT1ROCK2ROCK1
SCHEMBL13809 0.90 ABL1 (0.39) ABL1RORCGOT1ROCK2ROCK1
SCHEMBL17354301 0.88 ABL1 (0.33) ABL1
SCHEMBL17354263 0.85 ABL1 (0.33) ABL1ROCK2RETKDR
SCHEMBL14045 0.84 RET (0.32) RETKDR
SCHEMBL17354248 0.82 RET (0.33) RETKDR
SCHEMBL14147 0.82 KDR (0.38) ABL1RORCRETKDR
SCHEMBL17354375 0.80 MAPT (0.35) ABL1
SCHEMBL13748 0.80 KIT (0.40) ABL1RORCKDR

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 ABL1 2715/4885RORC 2712/4885GOT1 2573/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT ABL1 2715/4885RORC 2712/4885GOT1 2573/4885

“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.