SCHEMBL16840427

SCHEMBL16840427

COC(=O)[C@@H](NC(=O)c1ccc(C#CC#C[C@H]2CC(O)[C@@H]2CO)cc1)C(C)(C)N

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ACACB O00763 1/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.32
▸ TAS1R1 Q7RTX1 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ P2RY6 Q15077 1/20 0.31
▸ MMP13 P45452 2/20 0.30
▸ MMP2 P08253 1/20 0.30

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
SCHEMBL16840439 1.00 ACACB (0.32) ACACBTAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL16840426 1.00 ACACB (0.32) ACACBTAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL16843161 1.00 ACACB (0.32) ACACBTAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL16843177 0.93 ACACB (0.33) ACACBTAS1R3TAS1R1ALDH1A1L3MBTL1
SCHEMBL16820778 0.89 — —
SCHEMBL16820913 0.89 — —
SCHEMBL16820774 0.89 — —
SCHEMBL16840430 0.89 — —
SCHEMBL16840425 0.89 — —
SCHEMBL16840441 0.89 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150175530-A1 ANTIBACTERIAL AGENTS ACHAOGEN, INC. 2015-06-25 — — US disclosed
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 ACACB 3647/4885TAS1R3 4049/4885TAS1R1 3410/4885

“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.

Send feedback