SCHEMBL669976

SCHEMBL669976

CC(C)(C)NC(=O)C(=O)O.CC(C)(C)NC(=O)C(=O)O.CC(C)O[Ti]OC(C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
POLB P06746 1/20 0.34
ALPL P05186 1/20 0.31
ALPI P09923 1/20 0.31
ALPG P10696 1/20 0.31

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) CYP2C9SMN1; SMN2POLBALPLALPI
SCHEMBL669242 0.78 POLB (0.35) CYP2C9SMN1; SMN2POLBALPLALPI
SCHEMBL668795 0.73 ALPL (0.34) CYP2C9SMN1; SMN2POLBALPLALPI
Acetic Acid SCHEMBL16110537 0.71 FFAR3 (0.41)
Malonic Acid SCHEMBL7267727 0.70 LDHA (0.45)
Methacrylic Acid SCHEMBL1359934 0.69 TSHR (0.40)
SCHEMBL1807084 0.68 MGAM (0.35)
SCHEMBL19500089 0.67 SMN1; SMN2 (0.42) CYP2C9SMN1; SMN2POLBALPLALPI
SCHEMBL398895 0.66 MGAM (0.40) POLB
SCHEMBL13218356 0.66 PIK3CD (0.48) POLB

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 CYP2C9 3906/4885SMN1; SMN2 2947/4885POLB 2657/4885

“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.