SCHEMBL1996227

SCHEMBL1996227

C=C(CC(OC1CCCCO1)C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TET2 Q6N021 3/20 0.35
TET3 O43151 1/20 0.35
TET1 Q8NFU7 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
GRIK1 P39086 1/20 0.34
GRIK2 Q13002 1/20 0.34
GRM1 Q13255 1/20 0.34
GRM2 Q14416 1/20 0.34

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
SCHEMBL30638082 0.86 MEN1 (0.38) MEN1KMT2A
SCHEMBL29087904 0.86 MEN1 (0.38) MEN1KMT2A
SCHEMBL1610399 0.79 MEN1 (0.37) MEN1KMT2A
SCHEMBL9044977 0.77 MEN1 (0.36) MEN1KMT2A
SCHEMBL6484046 0.77 SELE (0.39) MEN1KMT2A
SCHEMBL14330745 0.76 SLC6A3 (0.36) MEN1KMT2A
SCHEMBL4100097 0.74 CA2 (0.38) MEN1KMT2A
SCHEMBL26187811 0.74 MEN1 (0.44) MEN1KMT2A
SCHEMBL8637033 0.73 MEN1 (0.38) MEN1KMT2A
SCHEMBL30989292 0.72 MEN1 (0.38) MEN1KMT2A

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-20120328518-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS PIRAMAL IMAGING SA (CH) 2012-12-27 US disclosed
EP-2338892-A1 Prostate specific membrane antigen inhibitors Bayer Schering Pharma Aktiengesellschaft (DE) 2011-06-29 EP 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-20120328518-A1 PROSTATE SPECIFIC MEMBRANE ANTIGEN INHIBITORS KLK3, FOLH1, ACP3 TET2 4860/4885TET3 4807/4885TET1 4828/4885

“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.