SCHEMBL1149587

SCHEMBL1149587

CC(C)(C)OC(=O)CN(CC(=O)O)[C@@H](CBr)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
AKT1 P31749 1/20 0.39
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
XBP1 P17861 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PPARA Q07869 1/20 0.35

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
SCHEMBL12439801 0.89 SYK (0.41) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL8046788 0.83 SYK (0.39) SYKAKT1ALDH1A1L3MBTL1MAPK1
SCHEMBL14439276 0.83 SYK (0.39) SYKAKT1ALDH1A1L3MBTL1MAPK1
SCHEMBL2137495 0.81 SYK (0.46) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2138671 0.81 SYK (0.46) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2139397 0.79 SYK (0.42) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL2139616 0.79 SYK (0.42) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL14768484 0.79 ALDH1A1 (0.43) SYKALDH1A1L3MBTL1MAPK1SMN1; SMN2
SCHEMBL25250386 0.78 ALDH1A1 (0.41) SYKALDH1A1L3MBTL1MAPK1POLB
SCHEMBL29415387 0.78 ALDH1A1 (0.41) SYKALDH1A1L3MBTL1MAPK1POLB

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-8153100-B2 Methods and compositions for F-18 labeling of proteins, peptides and other molecules IMMUNOMEDICS, INC. (US) 2012-04-10 US disclosed
US-20090246130-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules IMMUNOMEDICS, INC. (US) 2009-10-01 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 (1 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-20090246130-A1 Methods and Compositions for F-18 Labeling of Proteins, Peptides and Other Molecules F13B, TFRC, F13A1 SYK 2086/4885AKT1 4190/4885ALDH1A1 4778/4885

“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.