SCHEMBL17486903

SCHEMBL17486903

O=C(CCN1C(=O)C=CC1=O)NCCCOCCOCCCNC(=O)CCN1C(=O)C=CC1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.51
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.42
PTGS1 P23219 4/20 0.41
PTGS2 P35354 4/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TSHR P16473 3/20 0.41
FAAH O00519 2/20 0.40
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
RECQL P46063 2/20 0.39
HSP90AA1 P07900 1/20 0.39
TLR9 Q9NR96 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL12284024 1.00 MGLL (0.51) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL26519953 0.97 MGLL (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL18893611 0.95 MGLL (0.46) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL17637534 0.94 PTGS1 (0.48) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL18264898 0.94 MGLL (0.46) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL26331966 0.93 SMN1; SMN2 (0.51) MGLLPOLBHSD17B10SMN1; SMN2TSHR
SCHEMBL12628920 0.93 TSHR (0.49) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL17813301 0.93 MGLL (0.44) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL24383845 0.92 MGLL (0.44) MGLLPOLBHSD17B10PTGS1PTGS2
SCHEMBL6727204 0.92 MGLL (0.42) MGLLPOLBHSD17B10PTGS1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2024-06-27 US disclosed
US-11840581-B2 α4β7 thioether peptide dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2023-12-12 US disclosed
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists PROTAGONIST THERAPEUTICS, INC. 2023-03-02 US disclosed
US-20200239523-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2020-07-30 US disclosed
US-20180148477-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2018-05-31 US disclosed
US-20180105572-A1 NOVEL CYCLIC MONOMER AND DIMER PEPTIDES HAVING INTEGRIN ANTAGONIST ACTIVITY PROTAGONIST THERAPEUTICS, INC. 2018-04-19 US disclosed
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2017-11-16 US disclosed
US-9809623-B2 α4β7 peptide monomer and dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
US-9809623-B2 α4β7 peptide monomer and dimer antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2017-11-07 US disclosed
WO-2017165676-A1 METHODS FOR SYNTHESIZING α4β7 PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. (US) 2017-09-28 WO disclosed
US-9714270-B2 a4B7 integrin thioether peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2017-07-25 US disclosed
US-9714270-B2 a4B7 integrin thioether peptide antagonists PROTAGONIST THERAPEUTICS, INC. (US) 2017-07-25 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
US-20160152664-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160152664-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-06-02 US disclosed
US-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-02-04 US disclosed
US-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS PROTAGONIST THERAPEUTICS, INC. 2016-02-04 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 (10 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-20160031944-A1 a4B7 INTEGRIN THIOETHER PEPTIDE ANTAGONISTS ITGB7, EPCAM, ITGB4 MGLL 4780/4885POLB 4327/4885HSD17B10 3886/4885
US-20160159862-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 MGLL 4593/4885POLB 4300/4885HSD17B10 3977/4885
US-20180105572-A1 NOVEL CYCLIC MONOMER AND DIMER PEPTIDES HAVING INTEGRIN ANTAGONIST ACTIVITY VCAM1, EPCAM, ICAM1 MGLL 4365/4885POLB 4155/4885HSD17B10 4476/4885
US-20230063321-A1 Methods for Treating Inflammatory Bowel Diseases with alpha4beta7 Integrin Antagonists ITGB7, ITGB4, ITGA4 MGLL 4633/4885POLB 4383/4885HSD17B10 3626/4885
US-20200239523-A1 NOVEL a4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ITGB7, EPB41 MGLL 4780/4885POLB 4436/4885HSD17B10 3718/4885
US-11840581-B2 α4β7 thioether peptide dimer antagonists EPCAM, SELPLG, VCAM1 MGLL 4530/4885POLB 4489/4885HSD17B10 4098/4885
US-20160152664-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 MGLL 4593/4885POLB 4300/4885HSD17B10 3977/4885
US-20240209026-A1 A4B7 THIOETHER PEPTIDE DIMER ANTAGONISTS EPCAM, ANXA7, GRB7 MGLL 4647/4885POLB 4434/4885HSD17B10 3528/4885
US-20170327541-A1 METHODS FOR SYNTHESIZING alpha4ß7 PEPTIDE ANTAGONISTS PSMA7, PSMA4, IL4 MGLL 4882/4885POLB 2290/4885HSD17B10 4420/4885
US-20180148477-A1 NOVEL a4B7 PEPTIDE MONOMER AND DIMER ANTAGONISTS EPCAM, VCAM1, ITGB7 MGLL 4593/4885POLB 4300/4885HSD17B10 3977/4885

“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.