SCHEMBL797542

SCHEMBL797542

CCOC(=O)CCC(NC)C(C)=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
KMT2A Q03164 2/20 0.54
POLB P06746 2/20 0.54
GAA P10253 2/20 0.45
MGAM O43451 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
CYP1A2 P05177 2/20 0.41
ALDH1A1 P00352 4/20 0.40
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
TRPA1 O75762 1/20 0.38
LMNA P02545 2/20 0.37
CCKBR P32239 1/20 0.35
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
NR1I2 O75469 1/20 0.34
PGR P06401 1/20 0.34
ADORA3 P0DMS8 1/20 0.34

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
SCHEMBL8288900 1.00 L3MBTL1 (0.57) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL13108405 0.87 L3MBTL1 (0.69) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL13099456 0.87 L3MBTL1 (0.69) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL15132262 0.86 L3MBTL1 (0.42) L3MBTL1KMT2APOLBALDH1A1HPGD
SCHEMBL28539938 0.85 L3MBTL1 (0.57) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL25660778 0.85 L3MBTL1 (0.57) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL25530065 0.85 ALDH1A1 (0.46) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL18806449 0.83 DGKA (0.44) L3MBTL1KMT2APOLBALDH1A1LMNA
SCHEMBL797557 0.82 TSHR (0.48) L3MBTL1KMT2APOLBGAAMGAM
SCHEMBL19487360 0.82 TSHR (0.48) L3MBTL1KMT2APOLBGAAMGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160215093-A1 STABLE HELICAL IONIC POLYPEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-07-28 US disclosed
US-9243040-B2 Stable helical ionic polypeptides THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2016-01-26 US disclosed
US-8933030-B2 Treatments for gastrointestinal disorders Ironwwod Pharmaceuticals, Inc. (US) 2015-01-13 US disclosed
US-20140073571-A9 Treatments for Gastrointestinal Disorders WELLS FARGO BANK, NATIONAL ASSOCIATION 2014-03-13 US disclosed
US-20130274173-A1 STABLE HELICAL IONIC POLYPEPTIDES THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2013-10-17 US disclosed
US-20130190238-A1 Treatments for Gastrointestinal Disorders FRETZEN ANGELIKA (US) 2013-07-25 US disclosed
US-20120071612-A1 METHOD FOR THE PRODUCTION OF POLYAMINO ACID RANDOM COPOLYMERS SIGMA-ALDRICH CO., LLC (US) 2012-03-22 US disclosed
US-7317070-B1 Process for the preparation of polyamino acids SIGMA-ALDRICH CO. (US) 2008-01-08 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 (4 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-20130190238-A1 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR L3MBTL1 3979/4885KMT2A 4865/4885POLB 2926/4885
US-20130274173-A1 STABLE HELICAL IONIC POLYPEPTIDES GHITM, SLC7A1, PICALM L3MBTL1 2681/4885KMT2A 4638/4885POLB 1696/4885
US-20140073571-A9 Treatments for Gastrointestinal Disorders GRPR, GIPR, GCGR L3MBTL1 3979/4885KMT2A 4865/4885POLB 2926/4885
US-20160215093-A1 STABLE HELICAL IONIC POLYPEPTIDES GHITM, SLC7A1, PICALM L3MBTL1 2681/4885KMT2A 4638/4885POLB 1696/4885

“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.