SCHEMBL25062576

SCHEMBL25062576

NCCCC[C@H](NC(=O)CCCN1C(=O)C=CC1=O)C(=O)NCCCC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.48
▸ NMT2 O60551 5/20 0.48
▸ ROCK2 O75116 3/20 0.46
▸ CALCRL Q16602 1/20 0.45
▸ PTGS1 P23219 4/20 0.44
▸ PTGS2 P35354 4/20 0.44
▸ PRKACA P17612 1/20 0.44
▸ AKT3 Q9Y243 1/20 0.44
▸ TLR2 O60603 1/20 0.43
▸ CHRNB2 P17787 1/20 0.42
▸ CHRNB4 P30926 1/20 0.42
▸ CHRNA3 P32297 1/20 0.42
▸ CHRNA4 P43681 1/20 0.42
▸ SIRT6 Q8N6T7 1/20 0.41
▸ SIRT1 Q96EB6 1/20 0.41
▸ F2 P00734 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
SCHEMBL25062575 0.90 SIRT6 (0.53) NMT1NMT2TLR2CHRNB2CHRNB4
SCHEMBL25062579 0.89 NMT1 (0.46) NMT1NMT2ROCK2CALCRLPRKACA
SCHEMBL24983625 0.86 NMT2 (0.41) NMT1NMT2PTGS1PTGS2
SCHEMBL17325767 0.85 SIRT6 (0.48) NMT1NMT2ROCK2PRKACAAKT3
SCHEMBL254293 0.85 SIRT6 (0.48) NMT1NMT2ROCK2PRKACAAKT3
SCHEMBL16152402 0.84 GLP1R (0.41) NMT1NMT2ROCK2PTGS1PTGS2
SCHEMBL23482534 0.84 PTGS1 (0.52) PTGS1PTGS2
SCHEMBL7996266 0.84 SLC6A5 (0.50) PTGS1PTGS2
SCHEMBL23451312 0.84 PTGS1 (0.52) PTGS1PTGS2
SCHEMBL25130218 0.84 PTGS1 (0.52) PTGS1PTGS2

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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS HANGZHOU DAC BIOTECH CO., LTD. (CN) 2023-02-23 — — 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-20230057350-A1 A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS BTN3A1, ANTXR2, CLTA NMT1 15/4885NMT2 38/4885ROCK2 2005/4885

“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.

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