SCHEMBL21566733

SCHEMBL21566733

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

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 1/20 0.52
SIRT1 Q96EB6 1/20 0.52
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
TLR2 O60603 2/20 0.42
FOLH1 Q04609 1/20 0.41
ITGB3 P05106 4/20 0.40
ITGA2B P08514 4/20 0.40
CPA1 P15085 1/20 0.40
CPA2 P48052 1/20 0.40
CPA4 Q9UI42 1/20 0.40
PAOX Q6QHF9 2/20 0.39
CPB2 Q96IY4 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM1 P11229 1/20 0.38
GNPAT O15228 1/20 0.37
GSR P00390 1/20 0.36

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
SCHEMBL13995535 1.00 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL19200235 1.00 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL21566738 0.98 SIRT6 (0.55) SIRT6SIRT1CA1CA2TLR2
SCHEMBL22930152 0.88 SIRT6 (0.51) SIRT6SIRT1CA1CA2TLR2
SCHEMBL21566849 0.85 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL20196315 0.85 SIRT6 (0.52) SIRT6SIRT1CA1CA2TLR2
SCHEMBL14930711 0.83 FOLH1 (0.40) SIRT6SIRT1FOLH1ITGB3ITGA2B
SCHEMBL19647163 0.83 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2
SCHEMBL21566739 0.83 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2
SCHEMBL21566804 0.83 SIRT6 (0.53) SIRT6SIRT1CA1CA2TLR2

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-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF PFIZER INC. (US) 2019-11-14 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-20190345186-A1 CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF CALD1, CALU, STT3A SIRT6 690/4885SIRT1 1329/4885CA1 691/4885

“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.