SCHEMBL8743227

SCHEMBL8743227

C=CC(=O)CCNC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.32
ZDHHC2 Q9UIJ5 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.32
ECE1 P42892 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL8743224 0.86 TSHR (0.39) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL8743191 0.85 SMN1; SMN2 (0.42) TSHRALDH1A1MAPK1ZDHHC20ZDHHC2
SCHEMBL16371856 0.83 PRMT1 (0.45) TSHRALDH1A1MAPK1ZDHHC20ZDHHC2
SCHEMBL22675564 0.81 TSHR (0.54) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL9065524 0.77 ALDH1A1 (0.37) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL10018099 0.76 EPHX1 (0.44) TSHRALDH1A1MAPK1TDP1LMNA
SCHEMBL4345550 0.75
SCHEMBL6363746 0.74 PRSS1 (0.62) ALDH1A1LMNASMN1; SMN2
SCHEMBL6864093 0.74 ALDH1A1 (0.38) TSHRALDH1A1MAPK1TDP1ZDHHC20
SCHEMBL14395831 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10975120-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2021-04-13 US disclosed
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 EP disclosed
US-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2019-10-03 US disclosed
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG 2016-08-18 US disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 US disclosed
EP-3019515-A2 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Usera, Aimee (US) 2016-05-18 EP disclosed
WO-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 WO disclosed
EP-0751119-A1 A process for preparing acryloyl carbamates or ureas DAINIPPON INK AND CHEMICALS, INC. (JP) 1997-01-02 EP disclosed
US-4885355-A Water-insoluble polymers from cyclic sulfonium compounds THE DOW CHEMICAL COMPANY (US) 1989-12-05 US disclosed
US-4797456-A Aqueous-dispersible cyclic sulfonium compounds that cure to form water-insoluble polymers THE DOW CHEMICAL COMPANY (US) 1989-01-10 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 (3 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-20190300570-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 TSHR 3301/4885ALDH1A1 3164/4885MAPK1 4318/4885
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 TSHR 3301/4885ALDH1A1 3164/4885MAPK1 4318/4885
US-10975120-B2 Site-specific chemoenzymatic protein modifications PTMS, TGM3, TGM1 TSHR 3301/4885ALDH1A1 3164/4885MAPK1 4318/4885

“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.