SCHEMBL19929583

SCHEMBL19929583

N[C@@H](CCCCNC(=S)CCc1ccc([131I])cc1)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 1/20 0.38
PLAAT3 P53816 1/20 0.38
PLAAT5 Q96KN8 1/20 0.38
PLAAT2 Q9NWW9 1/20 0.38
PLAAT4 Q9UL19 1/20 0.38
ALB P02768 2/20 0.37
OTC P00480 1/20 0.36
SLC5A1 P13866 1/20 0.36
GRIK1 P39086 1/20 0.36
HPGD P15428 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
SCHEMBL26548503 0.94 ALB (0.41) CA12CA1CA2CA9SIRT2
SCHEMBL19929588 0.88 PLAAT3 (0.40) CA12CA1CA2CA9SIRT2
SCHEMBL22022014 0.88 PLAAT3 (0.45) CA12CA1CA2CA9SIRT2
SCHEMBL19929582 0.88 FOLH1 (0.41) CA12CA1CA2CA9SIRT2
SCHEMBL19929581 0.88 CA12 (0.39) CA12CA1CA2CA9SIRT2
SCHEMBL19933029 0.88 ALB (0.49) CA12CA1CA2CA9ALB
SCHEMBL19929585 0.88 HPGD (0.49) ALBOTCSLC5A1HPGD
SCHEMBL19929563 0.85 SIRT2 (0.40) SIRT2SIRT1ALBHPGD
SCHEMBL22021340 0.84 ALB (0.45) ALBOTCGRIK1
SCHEMBL19929580 0.84 ALB (0.53) ALBSLC5A1

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-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2023-10-19 US disclosed
US-20180066298-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS RATIO THERAPEUTICS, INC. 2018-03-08 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-20230332199-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS IL1RN, IL2RA, IL1A CA12 3060/4885CA1 3526/4885CA2 4786/4885
US-20180066298-A1 FUNCTIONALLY MODIFIED POLYPEPTIDES AND RADIOBIOSYNTHESIS IL1RN, IL2RA, IL1A CA12 3060/4885CA1 3526/4885CA2 4786/4885

“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.