SCHEMBL23604792

SCHEMBL23604792

CC(C)NCCC(=O)N[C@@H](CCCCN)C(=O)C(C)C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 6/20 0.45
▸ NMT2 O60551 5/20 0.45
▸ SLC6A5 Q9Y345 1/20 0.42
▸ FOLH1 Q04609 1/20 0.39
▸ SIRT6 Q8N6T7 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ TLR2 O60603 1/20 0.35
▸ CPB2 Q96IY4 1/20 0.34
▸ CHRND Q07001 5/20 0.34
▸ NOD1 Q9Y239 1/20 0.34
▸ CHRNA1 P02708 1/20 0.34
▸ CHRNG P07510 1/20 0.34
▸ CHRNB1 P11230 1/20 0.34

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
SCHEMBL25129549 0.86 NOD1 (0.39) NMT1NMT2FOLH1NOD1
SCHEMBL16231523 0.85 SLC6A5 (0.41) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL18062169 0.83 NMT1 (0.44) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL16231531 0.81 NMT1 (0.39) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL7034267 0.78 SLC6A5 (0.62) NMT1NMT2SLC6A5FOLH1CPB2
SCHEMBL7034266 0.78 SLC6A5 (0.62) NMT1NMT2SLC6A5FOLH1CPB2
SCHEMBL29299856 0.78 NMT1 (0.58) NMT1NMT2SIRT6SIRT1TLR2
SCHEMBL16557402 0.77 SIRT6 (0.54) FOLH1SIRT6SIRT1TLR2
SCHEMBL14961162 0.77 SIRT6 (0.43) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL21566743 0.77 SIRT6 (0.54) FOLH1SIRT6SIRT1TLR2

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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2021-07-01 — — 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-20210198314-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY CYP17A1, HSD17B7, SHBG NMT1 664/4885NMT2 688/4885SLC6A5 2671/4885

“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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