SCHEMBL14025

SCHEMBL14025

Cc1ccc(OC(F)(F)F)cc1CCC(=O)CN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 9/20 0.39
CYP3A4 P08684 1/20 0.38
KCNH2 Q12809 1/20 0.38
CACNA1C Q13936 1/20 0.38
SCN5A Q14524 1/20 0.38
CHRM5 P08912 1/20 0.38
FFAR1 O14842 5/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
POLB P06746 1/20 0.36
PTGER4 P35408 1/20 0.36
MAOB P27338 1/20 0.36
AOC3 Q16853 1/20 0.36

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
SCHEMBL13932 0.84 PIM1 (0.36) FFAR4FFAR1PIM1KDM4EGAA
SCHEMBL17354500 0.78 SCN10A (0.38) FFAR4CYP3A4KCNH2SCN5ACHRM5
SCHEMBL18927013 0.78 CHRM5 (0.42) FFAR4CYP3A4SCN5ACHRM5KDM4E
SCHEMBL14853145 0.77 CHRM5 (0.39) FFAR4CHRM5PPARGPPARDPPARA
SCHEMBL14853412 0.76 CHRM5 (0.38) FFAR4CYP3A4SCN5ACHRM5KDM4E
SCHEMBL14183052 0.76 CHRM5 (0.46) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL13653 0.76 PPARD (0.43) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL13776 0.76 KMT2A (0.38) FFAR4CHRM5PPARGPPARDPPARA
SCHEMBL12952588 0.75 FFAR4 (0.49) FFAR4CYP3A4KCNH2CACNA1CSCN5A
SCHEMBL16951952 0.75 CHRM5 (0.42) FFAR4CYP3A4KCNH2CACNA1CSCN5A

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 5 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-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 FFAR4 4452/4885CYP3A4 1470/4885KCNH2 3637/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT FFAR4 4452/4885CYP3A4 1470/4885KCNH2 3637/4885

“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.