SCHEMBL14193

SCHEMBL14193

CC(C)(C)OC(=O)N1CCC(n2cc(Br)c(=O)[nH]c2=O)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.44
EGFR P00533 3/20 0.43
HCAR1 Q9BXC0 1/20 0.42
PARP1 P09874 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
ABL1 P00519 2/20 0.41
ABL2 P42684 2/20 0.41
USP30 Q70CQ3 2/20 0.41
PRKCG P05129 1/20 0.40
PRKCB P05771 1/20 0.40
PRKCA P17252 1/20 0.40
PRKCH P24723 1/20 0.40
PRKCE Q02156 1/20 0.40
PRKCD Q05655 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL8334 0.82 ALDH1A1 (0.46) ALDH1A1POLBKMT2ASMN1; SMN2
SCHEMBL8639265 0.80 SRC (0.43) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL8304914 0.80 SRC (0.43) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL30087102 0.79 HCAR1 (0.51) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL13968 0.79 HCAR1 (0.51) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL25377839 0.77 FPR2 (0.48) SRCEGFRHCAR1ABL1ABL2
SCHEMBL19513984 0.77 SRC (0.49) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL17682818 0.77 SRC (0.49) SRCEGFRHCAR1KDM4EMAPT
SCHEMBL14458 0.77 SRC (0.48) SRCEGFRHCAR1PARP1PARP2
SCHEMBL21811121 0.76 KDM4E (0.45) SRCEGFRHCAR1KDM4EMAPT

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 SRC 4488/4885EGFR 4722/4885HCAR1 1776/4885
US-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SRC 4488/4885EGFR 4722/4885HCAR1 1776/4885

“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.