SCHEMBL2208580

SCHEMBL2208580

CC(=O)OC(CC#N)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PABPC1 P11940 1/20 0.50
APOBEC3A P31941 1/20 0.50
APOBEC3G Q9HC16 1/20 0.50
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 1/20 0.46
PBRM1 Q86U86 1/20 0.42
TDP1 Q9NUW8 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
CASP1 P29466 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CTSL P07711 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL7552631 1.00 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL292595 0.86 PBRM1 (0.41) PABPC1APOBEC3AAPOBEC3GALDH1A1PBRM1
SCHEMBL292594 0.86 PBRM1 (0.41) PABPC1APOBEC3AAPOBEC3GALDH1A1PBRM1
SCHEMBL11482206 0.85 PTGS1 (0.49) ALDH1A1CYP3A4TDP1KMT2AMEN1
SCHEMBL23489140 0.84 PBRM1 (0.40) PABPC1APOBEC3AAPOBEC3GALDH1A1PBRM1
SCHEMBL11645305 0.84 PABPC1 (0.48) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL7522491 0.83 PABPC1 (0.50) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL9608808 0.82 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL2294116 0.82 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4
SCHEMBL664962 0.82 PABPC1 (0.55) PABPC1APOBEC3AAPOBEC3GALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220118055-A1 RELEASABLE GLP-1 CONJUGATES FISH & RICHARDSON PC 2022-04-21 US disclosed
EP-2348120-B1 Enzymatic reduction of 1-phenylpropanone and derivatives thereof Universität Wien (AT) 2014-06-11 EP disclosed
EP-2348120-A1 Enzymatic reduction of 1-phenylpropanone and derivatives thereof Universität Wien (AT) 2011-07-27 EP disclosed
US-20060205056-A1 Enzymatic method of making ethyl 3-hydroxy-3-phenylpropionate and their esters ENZYTECH, LTD. (KR) 2006-09-14 US disclosed
WO-2004070049-A1 THE ENZYMATIC METHOD OF MAKING ETHYL 3-HYDROXY-3-PHENYLPROPIONATE AND THEIR ESTERS ENZYTECH, LTD. (KR) 2004-08-19 WO 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-20220118055-A1 RELEASABLE GLP-1 CONJUGATES GLP1R, GIPR, IAPP PABPC1 2779/4885APOBEC3A 3370/4885APOBEC3G 3188/4885

“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.