SCHEMBL10329614

SCHEMBL10329614

COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccccc3n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 15/20 0.65
ITGB7 P26010 15/20 0.65
ITGB1 P05556 13/20 0.65
CNR2 P34972 4/20 0.46
CNR1 P21554 3/20 0.46
PGR P06401 1/20 0.45

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
SCHEMBL16489169 1.00 ITGA4 (0.65) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL10329623 0.93 ITGA4 (0.63) ITGA4ITGB7ITGB1PGR
SCHEMBL29374360 0.91 ITGA4 (0.77) ITGA4ITGB7ITGB1
SCHEMBL10329613 0.91 ITGA4 (0.77) ITGA4ITGB7ITGB1
SCHEMBL6015064 0.91 ITGA4 (0.69) ITGA4ITGB7ITGB1
SCHEMBL13819338 0.91 ITGA4 (0.69) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL13376836 0.90 ITGA4 (0.66) ITGA4ITGB7ITGB1CNR2CNR1
SCHEMBL10330085 0.89 ITGA4 (0.65) ITGA4ITGB7ITGB1PGR
SCHEMBL13376835 0.89 ITGA4 (0.65) ITGA4ITGB7ITGB1PGR
SCHEMBL10329620 0.89 ITGA4 (0.60) ITGA4ITGB7ITGB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US disclosed
US-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity EA PHARMA CO., LTD. (JP) 2020-02-18 US disclosed
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EA PHARMA CO., LTD. (JP) 2019-02-07 US disclosed
WO-2017135471-A1 INTEGRIN α4β7 INHIBITOR EAファーマ株式会社 2017-08-10 WO disclosed
WO-2017135472-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME EAファーマ株式会社 2017-08-10 WO disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-09-15 US disclosed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 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 (6 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-10562898-B2 Substituted benzenesulfonamides as inhibitors of alpha-4 beta-7 integrin activity ITGB4, ITGB7, ITGA4 ITGA4 3/4885ITGB7 2/4885ITGB1 4/4885
US-20190040059-A1 SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING SAME ITGB4, ITGB5, ITGA4 ITGA4 3/4885ITGB7 14/4885ITGB1 8/4885
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 ITGA4 17/4885ITGB7 20/4885ITGB1 3/4885
US-20160264566-A1 ANTI-ALPHAVBETA1 INTEGRIN INHIBITORS AND METHODS OF USE ITGB1, ITGA1, ITGAV ITGA4 10/4885ITGB7 9/4885ITGB1 1/4885
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB7 20/4885ITGB1 13/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB7 20/4885ITGB1 13/4885

“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.