SCHEMBL14188

SCHEMBL14188

CC(C)(C)OC(=O)NCCCN(Cc1ccc(-n2cc3cc(-c4cc(CCCCNC(=O)OCc5ccccc5)cc(OC(F)(F)F)c4)[nH]c3nc2=O)cc1)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.34
TPSAB1 Q15661 2/20 0.34
TPSD1 Q9BZJ3 2/20 0.34
TPSG1 Q9NRR2 2/20 0.34
P2RY14 Q15391 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
BACE1 P56817 2/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
GHSR Q92847 1/20 0.31

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
SCHEMBL12062402 0.96 TPSAB1 (0.34) MAPTTPSAB1TPSD1TPSG1BACE1
SCHEMBL14306158 0.85 ELANE (0.35) MAPTTPSAB1TPSD1TPSG1P2RY14
SCHEMBL14401 0.83 ADORA2A (0.36) TPSAB1ADORA2AADORA2B
SCHEMBL15787549 0.81 MAPT (0.34) MAPTTPSAB1TPSD1TPSG1P2RY14
SCHEMBL15787563 0.80 SYK (0.35) MAPTTPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL15785105 0.79 ELANE (0.33) BACE1
SCHEMBL15785102 0.79 ELANE (0.35) BACE1HDAC3HDAC1HDAC2NCOR2
SCHEMBL14317569 0.73 MAPT (0.35) MAPTTPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL14318131 0.71 SYK (0.34) MAPTTPSAB1TPSD1TPSG1L3MBTL1
SCHEMBL15787552 0.71 MAPT (0.34) MAPTTPSAB1TPSD1TPSG1P2RY14

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 MAPT 4371/4885TPSAB1 3047/4885TPSD1 4094/4885

“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.