SCHEMBL13245462

SCHEMBL13245462

COC(=O)C(NC(=O)c1ccc(C#Cc2ccc(COS(C)(=O)=O)cc2)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
ACACB O00763 6/20 0.46
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
CA2 P00918 2/20 0.39
CA1 P00915 1/20 0.39

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
SCHEMBL13245465 0.83 TAS1R3 (0.53) TAS1R3TAS1R1ACACBNPSR1LMNA
SCHEMBL13244952 0.82 ACACB (0.37) TAS1R3TAS1R1ACACBCA2
SCHEMBL3677101 0.78 PTPN11 (0.49) LMNAMEN1GAAKMT2ACA2
SCHEMBL13266965 0.75 BCL2 (0.39) TAS1R3TAS1R1CA2
SCHEMBL13245461 0.74 KMT2A (0.54) LMNAKMT2A
SCHEMBL15382496 0.74 ACACB (0.50) TAS1R3TAS1R1ACACB
SCHEMBL13984474 0.74 PPARA (0.40) ACACBNPSR1CA2CA1
SCHEMBL21889877 0.74 TAS1R3 (0.59) TAS1R3TAS1R1NPSR1MEN1KMT2A
SCHEMBL13245353 0.74 LMNA (0.51) TAS1R3TAS1R1ACACBLMNA
SCHEMBL25008944 0.74 TAS1R3 (0.58) TAS1R3TAS1R1ACACB

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 3410/4885ACACB 3224/4885

“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.