SCHEMBL21566740

SCHEMBL21566740

CCC(=O)[C@H](CCCCN)NC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.57
▸ SIRT1 Q96EB6 1/20 0.57
▸ TLR2 O60603 2/20 0.49
▸ CHRM2 P08172 1/20 0.45
▸ CHRM4 P08173 1/20 0.45
▸ CHRM1 P11229 1/20 0.45
▸ CA1 P00915 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ FOLH1 Q04609 1/20 0.42
▸ ITGB3 P05106 4/20 0.41
▸ ITGA2B P08514 4/20 0.41
▸ PAOX Q6QHF9 2/20 0.40
▸ SLC6A5 Q9Y345 1/20 0.40
▸ CPA1 P15085 1/20 0.38
▸ CPA2 P48052 1/20 0.38
▸ CPA4 Q9UI42 1/20 0.38
▸ GNPAT O15228 1/20 0.38
▸ DPP8 Q6V1X1 1/20 0.38
▸ DPP9 Q86TI2 1/20 0.38
▸ DPP7 Q9UHL4 1/20 0.38

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
SCHEMBL13998248 1.00 SIRT6 (0.57) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20196381 0.86 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL18916662 0.84 SIRT6 (0.57) SIRT6SIRT1TLR2CA1CA2
SCHEMBL10050111 0.84 SIRT6 (0.52) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL29411228 0.84 SLC6A5 (0.45) SIRT6SIRT1TLR2FOLH1SLC6A5
SCHEMBL14363444 0.84 SIRT6 (0.56) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL19630974 0.84 SIRT6 (0.52) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20435077 0.83 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL20435058 0.83 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4
SCHEMBL12749404 0.83 SIRT6 (0.58) SIRT6SIRT1TLR2CHRM2CHRM4

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 4 patents. 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
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions SCRIPPS RESEARCH INST (US) 2014-12-25 — — US disclosed
US-8765920-B2 Tyrosine bioconjugation through aqueous Ene-like reactions THE SCRIPPS RESEARCH INSTITUTE (US) 2014-07-01 — — US disclosed
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions THE SCRIPPS RESEARCH INSTITUTE 2012-11-15 — — 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 (3 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 1329/4885TLR2 1653/4885
US-20140378668-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH SIRT6 2586/4885SIRT1 3921/4885TLR2 2070/4885
US-20120289682-A1 Tyrosine Bioconjugation through Aqueous Ene-Like Reactions TYR, DNPEP, TH SIRT6 2586/4885SIRT1 3921/4885TLR2 2070/4885

“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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