SCHEMBL18062169

SCHEMBL18062169

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NMT1 P30419 7/20 0.44
▸ NMT2 O60551 6/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.41
▸ FOLH1 Q04609 1/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ TLR2 O60603 1/20 0.34
▸ CPB2 Q96IY4 3/20 0.34
▸ ERAP2 Q6P179 1/20 0.33
▸ ERAP1 Q9NZ08 1/20 0.33
▸ LNPEP Q9UIQ6 1/20 0.33
▸ ITGB3 P05106 2/20 0.33
▸ ITGA2B P08514 2/20 0.33

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
SCHEMBL23604792 0.83 NMT1 (0.45) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL19362990 0.79 CPB2 (0.40) NMT1NMT2SLC6A5FOLH1SIRT6
SCHEMBL13995535 0.76 SIRT6 (0.52) FOLH1SIRT6SIRT1TLR2CPB2
SCHEMBL21566733 0.76 SIRT6 (0.52) FOLH1SIRT6SIRT1TLR2CPB2
SCHEMBL19200235 0.76 SIRT6 (0.52) FOLH1SIRT6SIRT1TLR2CPB2
SCHEMBL7034267 0.76 SLC6A5 (0.62) NMT1NMT2SLC6A5FOLH1CPB2
SCHEMBL7034266 0.76 SLC6A5 (0.62) NMT1NMT2SLC6A5FOLH1CPB2
SCHEMBL20682458 0.76 SIRT6 (0.40) FOLH1SIRT6SIRT1ITGB3ITGA2B
SCHEMBL29299856 0.75 NMT1 (0.58) NMT1NMT2SIRT6SIRT1TLR2
SCHEMBL21566738 0.75 SIRT6 (0.55) SLC6A5FOLH1SIRT6SIRT1TLR2

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-10844090-B2 Hemiasterlin derivatives for conjugation and therapy SUTRO BIOPHARMA, INC. (US) 2020-11-24 — — US disclosed
US-20160257709-A1 HEMIASTERLIN DERIVATIVES FOR CONJUGATION AND THERAPY SUTRO BIOPHARMA, INC. 2016-09-08 — — 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 (2 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-10844090-B2 Hemiasterlin derivatives for conjugation and therapy CYP17A1, HSD17B7, SHBG NMT1 664/4885NMT2 688/4885SLC6A5 2671/4885
US-20160257709-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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