SCHEMBL5057255

SCHEMBL5057255

C=CC(=O)NC(C)(C)CCP(=O)(O)O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
ALDH1A1 P00352 3/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
GRM4 Q14833 1/20 0.42
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
BTN3A1 O00481 1/20 0.32
ZDHHC20 Q5W0Z9 1/20 0.30
ZDHHC2 Q9UIJ5 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
SCHEMBL2552708 0.90 MEN1 (0.46) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Phosphoric Acid SCHEMBL22773434 0.82 MEN1 (0.48) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL41598 0.81 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Phosphoric Acid SCHEMBL22773414 0.78 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Acrylic Acid SCHEMBL10439866 0.77 ALDH1A1 (0.47) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL4906709 0.77 KMT2A (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL736116 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL15448877 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
SCHEMBL20467953 0.77 MEN1 (0.53) MEN1KMT2AALDH1A1CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL25269003 0.76 MEN1 (0.51) MEN1KMT2AALDH1A1CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10272017-B2 Aqueous dental glass ionomer composition DENTSPLY SIRONA INC. (US) 2019-04-30 US disclosed
US-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 US disclosed
US-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION DENTSPLY SIRONA INC. (US) 2017-10-19 US disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 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 (2 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-20170296442-A1 AQUEOUS DENTAL GLASS IONOMER COMPOSITION COG1, GDA, COG2 MEN1 3807/4885KMT2A 1618/4885ALDH1A1 2568/4885
US-10272017-B2 Aqueous dental glass ionomer composition COG1, GDA, COG2 MEN1 3807/4885KMT2A 1618/4885ALDH1A1 2568/4885

“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.