SCHEMBL17040313

SCHEMBL17040313

CC1(O)CCNC(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 5/20 0.42
OR51E2 Q9H255 1/20 0.41
FKBP5 Q13451 1/20 0.39
KDM4E B2RXH2 2/20 0.32
LMNA P02545 2/20 0.32
GAA P10253 1/20 0.32
POLB P06746 1/20 0.32
CYP2C9 P11712 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL20424079 0.80
SCHEMBL1963515 0.77 CRBN (0.46) CRBNOR51E2FKBP5KDM4ELMNA
SCHEMBL13232100 0.74 CRBN (0.42) CRBNOR51E2FKBP5LMNAHSD17B10
SCHEMBL17037499 0.74 CRBN (0.37) CRBNOR51E2FKBP5KDM4EGAA
SCHEMBL607485 0.71
SCHEMBL6920965 0.70 CRBN (0.48) CRBNOR51E2FKBP5KDM4EGAA
SCHEMBL20374429 0.70 OR51E2 (0.52) CRBNOR51E2FKBP5KDM4ELMNA
SCHEMBL21905938 0.68 CRBN (0.46) CRBNOR51E2FKBP5KDM4EGAA
SCHEMBL12220286 0.68 CYP11B1 (0.40) LMNACYP2C9
SCHEMBL13262638 0.68 CRBN (0.40) CRBNOR51E2FKBP5KDM4ELMNA

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-9586931-B2 Triazolyl derivatives as Syk inhibitors MERCK SHARP & DOHME CORP. (US) 2017-03-07 US disclosed
US-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS MERCK CANADA INC. (CA) 2015-08-27 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-20150239866-A1 TRIAZOLYL DERIVATIVES AS SYK INHIBITORS SYK, BTK, TYRO3 CRBN 1022/4885OR51E2 3398/4885FKBP5 3879/4885

“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.