Sugi Predict

Sugi Predict / Compounds / SCHEMBL14310

SCHEMBL14310

SCHEMBL14310

CC(N)CCOc1cc(OC(F)(F)F)ccc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SCN10A Q9Y5Y9 4/20 0.38
▸ PPARA Q07869 4/20 0.35
▸ PPARD Q03181 3/20 0.35
▸ PPARG P37231 1/20 0.35
▸ REN P00797 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EPHX1 P07099 1/20 0.34
▸ FFAR1 O14842 2/20 0.33
▸ FFAR4 Q5NUL3 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ PDE2A O00408 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL14850373 0.89 TDP1 (0.40) SCN10APPARAPPARDPPARGHTT
SCHEMBL13762 0.84 PPARG (0.40) SCN10APPARAPPARDPPARGSLC6A2
SCHEMBL14850046 0.82 FFAR4 (0.39) SCN10APPARAPPARDSLC6A4HTT
SCHEMBL17354117 0.82 PPARA (0.41) PPARAPPARDPPARGRENHTT
SCHEMBL14850087 0.81 PIM1 (0.36) SCN10APPARAPPARDSLC6A2SLC6A3
SCHEMBL14850385 0.81 HTT (0.36) SCN10APPARAPPARDHTTL3MBTL1
SCHEMBL14850079 0.79 SCN4A (0.36) SCN10ASLC6A4EPHX1PDE2AHRH4
SCHEMBL14850367 0.77 CRHR1 (0.37) PPARAPPARDL3MBTL1EPHX1FFAR1
SCHEMBL14850088 0.76 SLC6A2 (0.36) SCN10ASLC6A2SLC6A4SLC6A3EPHX1
SCHEMBL14850082 0.76 MAOB (0.35) SCN10APPARAPPARDSLC6A4EPHX1

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 4746/4885PPARA 923/4885PPARD 1550/4885
US-20160031828-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SCN10A 4746/4885PPARA 923/4885PPARD 1550/4885

“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.