SCHEMBL17870271

SCHEMBL17870271

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

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ GRN P28799 1/20 0.36
▸ SORT1 Q99523 1/20 0.36
▸ CTSS P25774 5/20 0.33
▸ CTSK P43235 4/20 0.33
▸ CTSL P07711 1/20 0.32
▸ CTSB P07858 1/20 0.32
▸ PYGL P06737 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CAPN1 P07384 1/20 0.30

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
SCHEMBL17870273 1.00 GRN (0.36) GRNSORT1CTSSCTSKCTSL
SCHEMBL17870438 0.89 GRN (0.37) GRNSORT1CTSSCTSKCTSL
SCHEMBL17870440 0.89 GRN (0.37) GRNSORT1CTSSCTSKCTSL
SCHEMBL17870455 0.77 CAPN1 (0.47) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL17870456 0.77 CAPN1 (0.47) CTSSCTSKCTSLCTSBCAPN1
SCHEMBL23805208 0.74 GRN (0.41) GRNSORT1CTSSCTSKCTSL
SCHEMBL23805209 0.74 GRN (0.41) GRNSORT1CTSSCTSKCTSL
SCHEMBL17870150 0.74 CTSS (0.35) CTSSCTSKPYGLCYP2C9
SCHEMBL18515857 0.73 GRN (0.56) GRNSORT1PYGLCYP2C9
SCHEMBL17870521 0.73 CTSS (0.43) CTSSCTSK

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 422/4885CTSS 203/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX GRN 2486/4885SORT1 422/4885CTSS 203/4885

“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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