SCHEMBL17870520

SCHEMBL17870520

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
TSHR P16473 2/20 0.40
ANPEP P15144 1/20 0.40
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
PGGT1B P53609 1/20 0.39
DRD1 P21728 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
CRHBP P24387 1/20 0.38
KMT2A Q03164 1/20 0.38
CRHR2 Q13324 1/20 0.38
MAPT P10636 1/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL17870521 1.00 CTSS (0.43) CTSSCTSKTSHRANPEPFNTA
SCHEMBL17884329 0.82 CTSS (0.65) CTSSCTSKTSHRALDH1A1MAPT
SCHEMBL17870289 0.78 SIRT6 (0.41) ALDH1A1
SCHEMBL17870455 0.78 CAPN1 (0.47) CTSSCTSKTSHRANPEPALDH1A1
SCHEMBL17870456 0.78 CAPN1 (0.47) CTSSCTSKTSHRANPEPALDH1A1
SCHEMBL16618469 0.77 SIRT6 (0.52) CTSSCTSKFNTAFNTBPGGT1B
SCHEMBL23753625 0.75 CTSS (0.44) CTSSCTSKTSHRANPEPALDH1A1
SCHEMBL6388000 0.75 CTSS (0.44) CTSSCTSKTSHRANPEPALDH1A1
SCHEMBL20533669 0.75 ANPEP (0.57) CTSSCTSKTSHRANPEPALDH1A1
SCHEMBL19136575 0.74 CTSK (0.48) CTSSCTSKTSHRANPEPALDH1A1

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 194/4885TSHR 2378/4885
US-20180265547-A1 Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES QPCT, PTMS, MAX CTSS 203/4885CTSK 194/4885TSHR 2378/4885

“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.