SCHEMBL13245482

SCHEMBL13245482

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

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 3/20 0.51
TAS1R1 Q7RTX1 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 1/20 0.48
ACACB O00763 3/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
LNPEP Q9UIQ6 1/20 0.45
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PRSS1 P07477 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
NCOR2 Q9Y618 1/20 0.43

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
SCHEMBL13245366 0.89 TAS1R3 (0.52) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245476 0.87 L3MBTL1 (0.50) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245474 0.86 GAA (0.57) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245485 0.84 TAS1R3 (0.46) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245384 0.82 TAS1R3 (0.51) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245484 0.82 KDM4E (0.47) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245365 0.82 ACACB (0.51) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL13245489 0.80 NAMPT (0.46) TAS1R3TAS1R1L3MBTL1ALDH1A1ACACB
SCHEMBL404522 0.80 GAA (0.53) GAARAB9A
SCHEMBL13245364 0.79 KMT2A (0.54) L3MBTL1RAB9A

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 TAS1R3 4086/4885TAS1R1 3410/4885L3MBTL1 2488/4885

“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.