SCHEMBL668795

SCHEMBL668795

CC(C)(C)NC(=O)C(=O)O.CC(C)(C)NC(=O)C(=O)O.CCO[Ti]OCC

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
ALPG P10696 1/20 0.34
CYP2C9 P11712 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
POLB P06746 1/20 0.30
RAB9A P51151 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
SCHEMBL669001 0.78 KDM5B (0.42) ALPLALPIALPGCYP2C9SMN1; SMN2
SCHEMBL669976 0.73 CYP2C9 (0.35) ALPLALPIALPGCYP2C9SMN1; SMN2
SCHEMBL669240 0.72 ALPL (0.33) ALPLALPIALPGCYP2C9SMN1; SMN2
SCHEMBL1809419 0.69 MGAM (0.37) POLB
SCHEMBL12376765 0.67 EGLN1 (0.50) SMN1; SMN2RAB9A
SCHEMBL669242 0.67 POLB (0.35) ALPLALPIALPGCYP2C9SMN1; SMN2
SCHEMBL16391286 0.66 EPHX1 (0.42) POLB
SCHEMBL6859267 0.65 KDM4E (0.46) ALPLALPIALPGCYP2C9SMN1; SMN2
SCHEMBL4889492 0.65
Ether SCHEMBL6698329 0.64 GAA (0.39) SMN1; SMN2

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-8642797-B2 Amidate precursors for depositing metal containing films AIR PRODUCTS AND CHEMICALS, INC. (US) 2014-02-04 US disclosed
US-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films AIR PRODUCTS AND CHEMICALS, INC. (US) 2012-02-23 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-20120045589-A1 Amidate Precursors For Depositing Metal Containing Films TERT, METTL3, TAF5 ALPL 3269/4885ALPI 4437/4885ALPG 4141/4885

“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.