SCHEMBL17813301

SCHEMBL17813301

O=C(CCN1C(=O)C=CC1=O)NCCCOCCO

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
POLB P06746 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 3/20 0.39
PTGS1 P23219 4/20 0.39
PTGS2 P35354 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
FAAH O00519 2/20 0.37
HPGD P15428 2/20 0.36
HTT P42858 2/20 0.36
RECQL P46063 2/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 1/20 0.36
TLR9 Q9NR96 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL18264898 0.99 MGLL (0.46) MGLLPOLBHSD17B10TSHRPTGS1
SCHEMBL12284024 0.93 MGLL (0.51) MGLLPOLBHSD17B10TSHRPTGS1
SCHEMBL17486903 0.93 MGLL (0.51) MGLLPOLBHSD17B10TSHRPTGS1
SCHEMBL12529901 0.92 MGLL (0.46) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL18893611 0.92 MGLL (0.46) MGLLPOLBHSD17B10TSHRPTGS1
SCHEMBL19401814 0.90 MGLL (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL17833093 0.90 MGLL (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL19318350 0.90 MGLL (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL15148264 0.90 MGLL (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL26519953 0.90 MGLL (0.49) MGLLPOLBHSD17B10TSHRPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 US disclosed
US-9518091-B2 A4B7 peptide monomer and dimer antagonists PROTAGONIST THERAPEUTICS, INC. 2016-12-13 US disclosed
US-20160159862-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-06-09 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-20160159862-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 MGLL 4593/4885POLB 4300/4885HSD17B10 3977/4885
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 MGLL 4882/4885POLB 2290/4885HSD17B10 4420/4885

“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.