SCHEMBL14458

SCHEMBL14458

CC(C)(C)OC(=O)Nc1ccccc1-c1cn(C2CCN(C(=O)OC(C)(C)C)C2)c(=O)[nH]c1=O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRC P12931 5/20 0.48
EGFR P00533 3/20 0.48
ABL1 P00519 2/20 0.45
ABL2 P42684 2/20 0.45
PARP1 P09874 4/20 0.43
PARP2 Q9UGN5 4/20 0.43
PRKCG P05129 1/20 0.43
PRKCB P05771 1/20 0.43
PRKCA P17252 1/20 0.43
PRKCH P24723 1/20 0.43
PRKCE Q02156 1/20 0.43
PRKCD Q05655 1/20 0.43
USP30 Q70CQ3 2/20 0.39
PIK3CA P42336 1/20 0.38
HCAR1 Q9BXC0 1/20 0.38
IL1B P01584 1/20 0.38
P2RX7 Q99572 1/20 0.38

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
SCHEMBL12062412 0.86 OPRM1 (0.40) PRKCGPRKCBPRKCAPRKCHPRKCE
SCHEMBL14193 0.77 SRC (0.44) SRCEGFRABL1ABL2PARP1
SCHEMBL30087102 0.72 HCAR1 (0.51) SRCEGFRABL1ABL2PRKCG
SCHEMBL13968 0.72 HCAR1 (0.51) SRCEGFRABL1ABL2PRKCG
SCHEMBL8304914 0.71 SRC (0.43) SRCEGFRABL1ABL2USP30
SCHEMBL8639265 0.71 SRC (0.43) SRCEGFRABL1ABL2USP30
SCHEMBL3963276 0.71 PRKCG (0.49) SRCEGFRPRKCGPRKCBPRKCA
SCHEMBL24424726 0.71 L3MBTL1 (0.60) SRCEGFRPRKCGPRKCBPRKCA
SCHEMBL4418493 0.71 L3MBTL1 (0.60) SRCEGFRPRKCGPRKCBPRKCA
SCHEMBL4411954 0.71 L3MBTL1 (0.60) SRCEGFRPRKCGPRKCBPRKCA

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 3 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-9193731-B2 Antimicrobial compounds and methods of making and using the same MELINTA THERAPEUTICS, INC. (US) 2015-11-24 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 (1 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-20160031893-A1 ANTIMICROBIAL COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MPO, LPO, CAT SRC 4488/4885EGFR 4722/4885ABL1 2715/4885

“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.