SCHEMBL17870458

SCHEMBL17870458

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
POLB P06746 2/20 0.37
LMNA P02545 2/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.34
MAPK1 P28482 1/20 0.34
PSMB5 P28074 1/20 0.33
ECE1 P42892 1/20 0.33
CA2 P00918 1/20 0.32
CA5A P35218 1/20 0.32

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
SCHEMBL17870460 1.00 CTSS (0.37) CTSSCTSKPOLBLMNAKMT2A
SCHEMBL17870446 0.86 CTSS (0.39) CTSSCTSKPOLBLMNAKMT2A
SCHEMBL17870286 0.86 CTSS (0.41) CTSSCTSKKMT2ASMN1; SMN2CA2
SCHEMBL17870511 0.83 CYP2D6 (0.32) KMT2AMAPK1ECE1
SCHEMBL17870512 0.83 CYP2D6 (0.32) KMT2AMAPK1ECE1
SCHEMBL17870150 0.81 CTSS (0.35) CTSSCTSK
SCHEMBL17884334 0.79 CTSK (0.60) CTSSCTSKCA2
SCHEMBL25327976 0.79 KMT2A (0.47) CTSSCTSKPOLBLMNAKMT2A
SCHEMBL17870455 0.78 CAPN1 (0.47) CTSSCTSKLMNAMAPK1
SCHEMBL17870456 0.78 CAPN1 (0.47) CTSSCTSKLMNAMAPK1

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 CTSS 203/4885CTSK 194/4885POLB 1589/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX CTSS 203/4885CTSK 194/4885POLB 1589/4885

“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.