SCHEMBL13968

SCHEMBL13968

CC(C)(C)OC(=O)N1CCC(n2ccc(=O)[nH]c2=O)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR1 Q9BXC0 1/20 0.51
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
THRB P10828 1/20 0.49
SRC P12931 4/20 0.45
EGFR P00533 2/20 0.45
USP30 Q70CQ3 2/20 0.44
HPGDS O60760 1/20 0.42
GPR119 Q8TDV5 2/20 0.42
ABL1 P00519 1/20 0.42
ABL2 P42684 1/20 0.42
TP53 P04637 1/20 0.41
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
PDE4B Q07343 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCE Q02156 1/20 0.41

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
SCHEMBL30087102 1.00 HCAR1 (0.51) HCAR1KDM4EMAPTTHRBSRC
SCHEMBL28640716 0.93 HCAR1 (0.58) HCAR1KDM4EMAPTTHRBHPGDS
SCHEMBL21811121 0.83 KDM4E (0.45) HCAR1KDM4EMAPTTHRBSRC
SCHEMBL31451173 0.81 KDM4E (0.45) HCAR1KDM4EMAPTTHRBHPGDS
SCHEMBL28630591 0.81 SLC28A1 (0.37)
SCHEMBL28630594 0.81 SLC28A1 (0.37)
SCHEMBL14193 0.79 SRC (0.44) HCAR1KDM4EMAPTTHRBSRC
SCHEMBL31451212 0.79 KDM4E (0.43) HCAR1KDM4EMAPTTHRBUSP30
SCHEMBL14824043 0.79 GPR119 (0.51) KDM4EMAPTTHRBSRCEGFR
SCHEMBL3661307 0.78 USP30 (0.48) HCAR1KDM4EMAPTTHRBSRC

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME BioVersys AG (CH) 2016-02-04 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
US-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same RIB-X PHARMACEUTICALS, INC. (US) 2012-08-30 US disclosed
WO-2011047319-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-20120220566-A1 Antimicrobial Compounds and Methods of Making and Using the Same MPO, LPO, CAT HCAR1 1776/4885KDM4E 4344/4885MAPT 4371/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT HCAR1 1776/4885KDM4E 4344/4885MAPT 4371/4885

“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.