SCHEMBL6466403

SCHEMBL6466403

CC(C[CH]C(=O)NC1CCn2c(=O)c3ccccc3c(=O)n2C[C@@H]1O)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SHMT2 P34897 3/20 0.33
CTSK P43235 1/20 0.33
ALDH1A1 P00352 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.30
LMNA P02545 2/20 0.30
HTT P42858 2/20 0.30
TSHR P16473 1/20 0.30
ALPL P05186 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL6466408 0.80 CTSK (0.43) SHMT2CTSK
SCHEMBL5105668 0.77 PDE4B (0.39) ALDH1A1LMNA
SCHEMBL4689693 0.77 ALDH1A1 (0.45) ALDH1A1
SCHEMBL5098778 0.75 CYP2C19 (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6355386 0.74 PDE5A (0.37) SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL5092936 0.73 RAB9A (0.45) LMNAMEN1KMT2AL3MBTL1
SCHEMBL6203392 0.72 BTK (0.32) KMT2A
SCHEMBL5096673 0.72 CCR8 (0.35) CTSKKMT2A
SCHEMBL4693518 0.72 CTSK (0.41) CTSKALDH1A1SMN1; SMN2LMNAHTT
SCHEMBL5099322 0.71 AKR1C3 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203084-A1 Protease inhibitors SMITHKLINE BEECHAM CORPORATION 2005-09-15 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-20050203084-A1 Protease inhibitors SERPINB1, SPINT2, PRSS1 SHMT2 4852/4885CTSK 72/4885ALDH1A1 1184/4885

“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.