Sugi Predict

Sugi Predict / Compounds / SCHEMBL13654

SCHEMBL13654

SCHEMBL13654

CC(C)(C)c1ccc(OC(F)(F)F)cc1CCC(F)(F)CN

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 1/20 0.34
▸ MAOB P27338 1/20 0.34
▸ AOC3 Q16853 1/20 0.34
▸ GPR3 P46089 2/20 0.33
▸ PRMT6 Q96LA8 1/20 0.33
▸ TRPV1 Q8NER1 1/20 0.32
▸ SLC6A4 P31645 3/20 0.32
▸ NPC1 O15118 2/20 0.31
▸ RAB9A P51151 2/20 0.31
▸ SLC6A2 P23975 2/20 0.31
▸ SLC6A3 Q01959 2/20 0.31
▸ GMNN O75496 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ ADORA3 P0DMS8 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CYP2C9 P11712 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
SCHEMBL14397 0.89 SCN10A (0.37) SCN10AMAOBAOC3GPR3PRMT6
SCHEMBL14850391 0.87 NR1H2 (0.34) GPR3TRPV1SLC6A4SLC6A2SLC6A3
SCHEMBL14853412 0.83 CHRM5 (0.38) SCN10AMAOBAOC3GPR3SLC6A4
SCHEMBL17354501 0.82 GPR3 (0.35) SCN10AMAOBAOC3GPR3TRPV1
SCHEMBL14850380 0.82 NR1H2 (0.34) GPR3TRPV1SLC6A4SLC6A2SLC6A3
SCHEMBL14850090 0.81 NPC1 (0.34) SCN10AMAOBAOC3GPR3PRMT6
SCHEMBL14850393 0.80 GPR3 (0.35) GPR3TRPV1SLC6A4SLC6A2SLC6A3
SCHEMBL14850089 0.78 MAOB (0.35) MAOBAOC3GPR3SLC6A4
SCHEMBL13896 0.78 SLC6A2 (0.34) SCN10AMAOBAOC3GPR3PRMT6
SCHEMBL13932 0.77 PIM1 (0.36) MAOBAOC3TRPV1SLC6A4SLC6A2

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 6 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-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
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 SCN10A 4746/4885MAOB 864/4885AOC3 218/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SCN10A 4746/4885MAOB 864/4885AOC3 218/4885

“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.