SCHEMBL19971939

SCHEMBL19971939

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.61
GAA P10253 1/20 0.61
KMT2A Q03164 1/20 0.61
TDP1 Q9NUW8 3/20 0.46
NOD1 Q9Y239 1/20 0.45
CTSK P43235 6/20 0.44
CTSS P25774 5/20 0.44
MMP1 P03956 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CAPN1 P07384 1/20 0.44
CA1 P00915 4/20 0.43
CA2 P00918 4/20 0.43
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL19971940 1.00 MEN1 (0.61) MEN1GAAKMT2ATDP1NOD1
SCHEMBL26527825 0.90 MEN1 (0.58) MEN1GAAKMT2ATDP1CTSK
SCHEMBL12989831 0.89 MEN1 (0.64) MEN1GAAKMT2ATDP1CTSK
SCHEMBL21982015 0.88 MEN1 (0.52) MEN1GAAKMT2ATDP1CTSK
SCHEMBL19986282 0.88 MEN1 (0.52) MEN1GAAKMT2ATDP1CTSK
SCHEMBL21982014 0.88 MEN1 (0.52) MEN1GAAKMT2ATDP1CTSK
SCHEMBL30101985 0.86 MEN1 (0.64) MEN1GAAKMT2ATDP1CTSK
SCHEMBL19776667 0.86 MEN1 (0.53) MEN1GAAKMT2ATDP1CTSK
SCHEMBL14938898 0.86 MEN1 (0.53) MEN1GAAKMT2ATDP1CTSK
SCHEMBL14938896 0.86 MEN1 (0.53) MEN1GAAKMT2ATDP1CTSK

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 MEN1 697/4885GAA 2503/4885KMT2A 4698/4885
US-20180079777-A1 SOLUTION PHASE METHOD FOR PREPARING ETELCALCETIDE PTH1R, CALCR, SOST MEN1 697/4885GAA 2503/4885KMT2A 4698/4885

“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.