SCHEMBL13932

SCHEMBL13932

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.36
EPHX2 P34913 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
KDM4E B2RXH2 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
EPHX1 P07099 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
VNN1 O95497 2/20 0.35
TRPV1 Q8NER1 1/20 0.35
FFAR4 Q5NUL3 2/20 0.35
MAOB P27338 1/20 0.35
AOC3 Q16853 1/20 0.35
TGM2 P21980 1/20 0.34
FFAR1 O14842 2/20 0.34
BACE1 P56817 1/20 0.34
P2RY1 P47900 1/20 0.34
PDE2A O00408 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
SCHEMBL14850387 0.88 VNN1 (0.38) EPHX2NR1H4VNN1TRPV1FFAR4
SCHEMBL14025 0.84 FFAR4 (0.39) PIM1KDM4EGAAKMT2ASLC6A2
SCHEMBL14397 0.80 SCN10A (0.37) EPHX2NR1H4GAASLC6A2SLC6A4
SCHEMBL14850089 0.78 MAOB (0.35) EPHX1SLC6A4MAOBAOC3PDE2A
SCHEMBL13654 0.77 SCN10A (0.34) EPHX2NR1H4GAASLC6A2SLC6A4
SCHEMBL14850083 0.77 PTGDR2 (0.39) PIM1EPHX2NR1H4KDM4EGAA
SCHEMBL14850086 0.77 MAOB (0.35) KMT2AEPHX1SLC6A4VNN1MAOB
SCHEMBL14850380 0.76 NR1H2 (0.34) EPHX2NR1H4SLC6A2SLC6A4TRPV1
SCHEMBL13896 0.75 SLC6A2 (0.34) EPHX1SLC6A2SLC6A4MAOBAOC3
SCHEMBL14850090 0.75 NPC1 (0.34) EPHX2NR1H4GAASLC6A2SLC6A4

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 PIM1 1749/4885EPHX2 3041/4885NR1H4 3843/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT PIM1 1749/4885EPHX2 3041/4885NR1H4 3843/4885

“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.