SCHEMBL17870438

SCHEMBL17870438

CC(C)(C)OC[C@H](NC(=O)O)C(=O)NCC/C=C/CCNC(=O)[C@H](COC(C)(C)C)NC(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ CTSK P43235 8/20 0.34
▸ CTSS P25774 7/20 0.34
▸ CTSL P07711 1/20 0.33
▸ CTSB P07858 1/20 0.33
▸ PYGL P06737 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CAPN1 P07384 1/20 0.32
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA3 P07451 1/20 0.31
▸ CA4 P22748 1/20 0.31
▸ CA6 P23280 1/20 0.31
▸ CA5A P35218 1/20 0.31
▸ CA7 P43166 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ SCN9A Q15858 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL17870440 1.00 GRN (0.37) GRNSORT1CTSKCTSSCTSL
SCHEMBL17870271 0.89 GRN (0.36) GRNSORT1CTSKCTSSCTSL
SCHEMBL17870273 0.89 GRN (0.36) GRNSORT1CTSKCTSSCTSL
SCHEMBL17880440 0.79 CTSK (0.46) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL23805209 0.76 GRN (0.41) GRNSORT1CTSKCTSSCTSL
SCHEMBL23805208 0.76 GRN (0.41) GRNSORT1CTSKCTSSCTSL
SCHEMBL18515857 0.76 GRN (0.56) GRNSORT1PYGLCYP2C9MAPK1
SCHEMBL17870476 0.75 CAPN1 (0.49) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL4682422 0.73 GRN (0.43) GRNSORT1CTSKCTSSCTSL
SCHEMBL2568153 0.73 GRN (0.43) GRNSORT1CTSKCTSSCTSL

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-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2018-09-20 — — US disclosed
US-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES CALIFORNIA INSTITUTE OF TECHNOLOGY 2016-06-30 — — 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-20160185821-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX GRN 2486/4885SORT1 422/4885CTSK 194/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX GRN 2486/4885SORT1 422/4885CTSK 194/4885

“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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