SCHEMBL10101158

SCHEMBL10101158

O=C1CCSCCC(=O)NCCNC(=O)CCSCCC(=O)NCCN1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 4/20 0.53
OR51E2 Q9H255 1/20 0.50
FKBP5 Q13451 1/20 0.48
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4240098 0.92
SCHEMBL18396750 0.87
SCHEMBL2677621 0.78 CRBN (0.71) CRBNOR51E2FKBP5GAAKDM4E
SCHEMBL747153 0.78
2-Pyrrolidone SCHEMBL9100871 0.77 OR51E2 (0.71) CRBNOR51E2FKBP5GAAKDM4E
SCHEMBL10764833 0.77
SCHEMBL6365823 0.72 CRBN (0.85) CRBNOR51E2FKBP5GAAKDM4E
SCHEMBL42430 0.71
SCHEMBL10101154 0.71 CRBN (0.42) CRBNOR51E2FKBP5GAAMEN1
Thiomorpholine SCHEMBL17694294 0.69 GAA (0.31) CRBNOR51E2FKBP5GAA

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-20120164039-A1 PALLADIUM ION ADSORBENT AND METHODS FOR SEPARATING AND RECOVERING PALLADIUM USING IT TOSOH CORPORATION (JP) 2012-06-28 US disclosed
US-20120164039-A1 PALLADIUM ION ADSORBENT AND METHODS FOR SEPARATING AND RECOVERING PALLADIUM USING IT TOSOH CORPORATION (JP) 2012-06-28 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-20120164039-A1 PALLADIUM ION ADSORBENT AND METHODS FOR SEPARATING AND RECOVERING PALLADIUM USING IT PDCD10, PARK7, CCR10 CRBN 955/4885OR51E2 165/4885FKBP5 1617/4885

“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.