SCHEMBL19971948

SCHEMBL19971948

COC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)[C@@H](C)NC(=O)[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 1/20 0.53
▸ SIRT1 Q96EB6 1/20 0.53
▸ SIRT3 Q9NTG7 1/20 0.53
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ SYK P43405 1/20 0.52
▸ MAPT P10636 1/20 0.51
▸ MMP1 P03956 1/20 0.51
▸ MMP3 P08254 1/20 0.51
▸ MMP9 P14780 1/20 0.51
▸ CTSL P07711 1/20 0.50
▸ CTSS P25774 1/20 0.50
▸ CA1 P00915 1/20 0.49
▸ CA2 P00918 1/20 0.49
▸ PSMB5 P28074 1/20 0.49
▸ CTSK P43235 1/20 0.48

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
SCHEMBL19971941 1.00 SIRT2 (0.53) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL19971942 1.00 SIRT2 (0.53) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL19971949 1.00 SIRT2 (0.53) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL13599694 0.93 MAPT (0.56) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL19295560 0.92 SIRT2 (0.60) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL21900170 0.92 SIRT2 (0.60) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL21900169 0.92 SIRT2 (0.60) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL8246040 0.91 MAPT (0.53) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL8245686 0.91 MAPT (0.53) SIRT2SIRT1SIRT3KLK7KLK5
SCHEMBL5309738 0.91 MAPT (0.53) SIRT2SIRT1SIRT3KLK7KLK5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10858389-B2 Solution phase method for preparing etelcalcetide AMGEN INC. (US) 2020-12-08 — — US disclosed
EP-3274360-B1 SOLUTION PHASE METHOD FOR PREPARING ETELCALCETIDE AMGEN INC (US) 2020-05-06 — — EP disclosed
US-20180079777-A1 SOLUTION PHASE METHOD FOR PREPARING ETELCALCETIDE AMGEN INC. 2018-03-22 — — 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-10858389-B2 Solution phase method for preparing etelcalcetide PTH1R, CALCR, SOST SIRT2 4640/4885SIRT1 4738/4885SIRT3 4711/4885
US-20180079777-A1 SOLUTION PHASE METHOD FOR PREPARING ETELCALCETIDE PTH1R, CALCR, SOST SIRT2 4640/4885SIRT1 4738/4885SIRT3 4711/4885

“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.

Send feedback