SCHEMBL13245476

SCHEMBL13245476

CC[C@H](NC(=O)c1ccc(C#Cc2ccc(N)cc2)cc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TAS1R3 Q7RTX0 5/20 0.48
TAS1R1 Q7RTX1 5/20 0.48
RAB9A P51151 2/20 0.47
GAA P10253 1/20 0.47
ACACB O00763 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL20299887 0.90 TAS1R3 (0.45) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL28940166 0.90 TAS1R3 (0.45) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245474 0.88 GAA (0.57) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245482 0.87 TAS1R3 (0.51) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245366 0.86 TAS1R3 (0.52) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245384 0.85 TAS1R3 (0.51) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL15227743 0.83 RAB9A (0.44) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245485 0.81 TAS1R3 (0.46) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL13245479 0.81 L3MBTL1 (0.45) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A
SCHEMBL19684300 0.80 TAS1R3 (0.40) L3MBTL1ALDH1A1TAS1R3TAS1R1RAB9A

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-20100190766-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. (US) 2010-07-29 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-20100190766-A1 ANTIBACTERIAL AGENTS MRPL21, SI, ABCB11 L3MBTL1 2488/4885ALDH1A1 687/4885TAS1R3 4086/4885

“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.