SCHEMBL16840486

SCHEMBL16840486

CCC(O)C#CC#Cc1ccc(C(=O)N[C@H](C(=O)OC)C(C)(C)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
ACACB O00763 1/20 0.36
PRSS1 P07477 1/20 0.36
CTSG P08311 1/20 0.36
CTRB1 P17538 1/20 0.36
CMA1 P23946 1/20 0.36
LMNA P02545 1/20 0.35
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL16820956 0.91 ACACB (0.36) L3MBTL1MAPTACACBPRSS1CTSG
SCHEMBL16820767 0.88 ACACB (0.38) L3MBTL1ACACBPRSS1CTSGCTRB1
SCHEMBL16820768 0.88 ACACB (0.38) L3MBTL1ACACBPRSS1CTSGCTRB1
SCHEMBL16820822 0.83 ACACB (0.38) L3MBTL1MAPTACACBLMNATAS1R3
SCHEMBL16820821 0.83 ACACB (0.38) L3MBTL1MAPTACACBLMNATAS1R3
SCHEMBL15235729 0.83 CA2 (0.39) L3MBTL1MAPTACACBLMNATAS1R3
SCHEMBL16820869 0.82 ACACB (0.35) L3MBTL1ALDH1A1ACACBPRSS1CTSG
SCHEMBL16820800 0.82 ACACB (0.35) L3MBTL1ALDH1A1ACACBPRSS1CTSG
SCHEMBL16820803 0.82 ACACB (0.35) L3MBTL1ALDH1A1ACACBPRSS1CTSG
SCHEMBL16820798 0.82 ACACB (0.35) L3MBTL1ALDH1A1ACACBPRSS1CTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 US 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-20150175530-A1 ANTIBACTERIAL AGENTS MRPL21, ABCB11, LSS L3MBTL1 2949/4885ALDH1A1 1168/4885MAPT 4489/4885

“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.