SCHEMBL13245484

SCHEMBL13245484

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

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
KMT2A Q03164 1/20 0.47
TAS1R3 Q7RTX0 3/20 0.46
TAS1R1 Q7RTX1 3/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
ACACB O00763 4/20 0.44
NAMPT P43490 1/20 0.42
ITGB1 P05556 1/20 0.41
ITGA4 P13612 1/20 0.41

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 0.83 TAS1R3 (0.52) TAS1R3TAS1R1RAB9AL3MBTL1ALDH1A1
SCHEMBL13245482 0.82 TAS1R3 (0.51) TAS1R3TAS1R1RAB9AL3MBTL1ALDH1A1
SCHEMBL13245485 0.81 TAS1R3 (0.46) TAS1R3TAS1R1RAB9AL3MBTL1ALDH1A1
SCHEMBL13245474 0.81 GAA (0.57) TAS1R3TAS1R1RAB9AL3MBTL1ALDH1A1
SCHEMBL13245476 0.80 L3MBTL1 (0.50) TAS1R3TAS1R1RAB9ANPC1SMN1; SMN2
SCHEMBL13245489 0.80 NAMPT (0.46) POLBRECQLKMT2ATAS1R3TAS1R1
SCHEMBL13245384 0.78 TAS1R3 (0.51) TAS1R3TAS1R1RAB9AL3MBTL1ALDH1A1
SCHEMBL13245365 0.77 ACACB (0.51) POLBTAS1R3TAS1R1RAB9AL3MBTL1
SCHEMBL13245364 0.74 KMT2A (0.54) KDM4ETSHRKMT2ARAB9ASMN1; SMN2
SCHEMBL13245479 0.74 L3MBTL1 (0.45) KMT2ATAS1R3TAS1R1RAB9ANPC1

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 KDM4E 4299/4885POLB 671/4885TSHR 4087/4885

“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.