SCHEMBL21186453

SCHEMBL21186453

CC[C@H](C)[C@H](NC(=O)CN(C)C)C(=O)CSC

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
ACACB O00763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
CCR1 P32246 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
SCHEMBL8356951 0.79 ALDH1A1 (0.40) ALDH1A1ACACBL3MBTL1CCR1
SCHEMBL21186371 0.79 ALDH1A1 (0.40) ALDH1A1ACACBL3MBTL1CCR1
SCHEMBL5382170 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1
SCHEMBL2581847 0.79 ALDH1A1 (0.56) ALDH1A1L3MBTL1
SCHEMBL18756351 0.69 MMP1 (0.45) ALDH1A1ACACB
SCHEMBL19090742 0.67 CA12 (0.43) ACACB
SCHEMBL30136924 0.67 ALDH1A1 (0.53) ALDH1A1L3MBTL1
SCHEMBL7725268 0.66 MEN1 (0.43) ALDH1A1ACACB
SCHEMBL2490744 0.66 NPSR1 (0.46) ALDH1A1
SCHEMBL5397200 0.66 NPSR1 (0.46) ALDH1A1

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-11559590-B2 Granzyme B directed imaging and therapy THE GENERAL HOSPITAL CORPORATION (US) 2023-01-24 US disclosed
US-20190224348-A1 Granzyme B Directed Imaging and Therapy THE GENERAL HOSPITAL CORPORATION 2019-07-25 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-11559590-B2 Granzyme B directed imaging and therapy GZMB, CTSB, PRF1 ALDH1A1 4812/4885ACACB 4160/4885L3MBTL1 1065/4885
US-20190224348-A1 Granzyme B Directed Imaging and Therapy GZMB, CTSB, PRF1 ALDH1A1 4812/4885ACACB 4160/4885L3MBTL1 1065/4885

“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.