SCHEMBL10329624

SCHEMBL10329624

COC(=O)[C@H](Cc1ccc(-n2c(=O)c3cc(N(C)C)ccc3n(C)c2=O)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.85
ITGB7 P26010 20/20 0.85
ITGB1 P05556 17/20 0.85

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
SCHEMBL12955399 1.00 ITGA4 (0.85) ITGA4ITGB7ITGB1
SCHEMBL13376853 0.94 ITGA4 (0.80) ITGA4ITGB7ITGB1
SCHEMBL13656581 0.94 ITGA4 (0.85) ITGA4ITGB7ITGB1
SCHEMBL3005744 0.92 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL29082839 0.92 ITGA4 (1.00) ITGA4ITGB7ITGB1
SCHEMBL13656586 0.92 ITGA4 (0.79) ITGA4ITGB7ITGB1
SCHEMBL13656576 0.91 ITGA4 (0.86) ITGA4ITGB7ITGB1
SCHEMBL6015064 0.90 ITGA4 (0.69) ITGA4ITGB7ITGB1
SCHEMBL13819338 0.90 ITGA4 (0.69) ITGA4ITGB7ITGB1
SCHEMBL13376867 0.90 ITGA4 (0.76) 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 478 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4701663-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS, COMBINATIONS AND USES THEREOF Insilico Medicine IP Limited (HK) 2026-03-04 EP claimed
US-20250206825-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR OSAKA UNIVERSITY (JP) 2025-06-26 US claimed
EP-4491196-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR OSAKA UNIVERSITY (JP) 2025-01-15 EP claimed
WO-2024222890-A1 PROLYL HYDROXYLASE DOMAIN-CONTAINING PROTEIN (PHD) INHIBITORS, COMBINATIONS AND USES THEREOF INSILICO MEDICINE IP LIMITED (CN) 2024-10-31 WO claimed
CN-117597327-A Pharmaceutical preparation 第一波动生物制药股份有限公司 2024-02-23 CN claimed
WO-2023171789-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR 国立大学法人大阪大学 2023-09-14 WO claimed
WO-2023147555-A2 METHODS OF TREATING PAIN ENDOSOME THERAPEUTICS, INC. (US) 2023-08-03 WO claimed
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 US claimed
EP-4045480-A1 PHARMACEUTICAL FORMULATIONS First Wave Bio, Inc. (US) 2022-08-24 EP claimed
CN-122036801-A Crystalline forms of tenofovir alafenamide 吉利德科学公司 2026-05-15 CN disclosed
US-20260132139-A1 HIV INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2026-05-14 US disclosed
EP-4735431-A2 MK2 INHIBITORS AND METHODS OF MAKING AND USING THE SAME GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
EP-4735446-A1 SALTS AND SOLID FORMS OF A COMPOUND THAT MODULATES IRAK4 GILEAD SCIENCES, INC. (US) 2026-05-06 EP disclosed
WO-2026090160-A2 CD4-TARGETED IL-15 MOLECULES AND METHODS OF USE GILEAD SCIENCES, INC. (US) 2026-04-30 WO disclosed
US-7737274-B2 Methods for producing phenylalanine derivatives having a quinazolinedione skeleton and intermediates for production thereof AJINOMOTO CO., INC. (JP) 2010-06-15 US disclosed
US-20100137593-A1 CRYSTALS OF PHENYLALANINE DERIVATIVES AND PRODUCTION METHODS THEREOF AJINOMOTO CO., INC (JP) 2010-06-03 US disclosed
US-20100137593-A1 CRYSTALS OF PHENYLALANINE DERIVATIVES AND PRODUCTION METHODS THEREOF AJINOMOTO CO., INC (JP) 2010-06-03 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES AJINOMOTO CO., INC. (JP) 2009-12-24 US disclosed
EP-2103601-A1 PROCESS FOR PRODUCTION OF PHENYLALANINE DERIVATIVES HAVING QUINAZOLINEDIONE SKELETONS AND INTERMEDIATES FOR THE PRODUCTION Ajinomoto Co., Inc. (JP) 2009-09-23 EP 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-20100137593-A1 CRYSTALS OF PHENYLALANINE DERIVATIVES AND PRODUCTION METHODS THEREOF PAH, FARSA, TYR ITGA4 4848/4885ITGB7 4827/4885ITGB1 4788/4885
US-20090318688-A1 METHOD FOR PREPARING PHENYLALANINE DERIVATIVES HAVING QUINAZOLINE-DIONE SKELETON AND INTERMEDIATES FOR USE IN THE PREPARATION OF DERIVATIVES PAH, DDC, AADAT ITGA4 4848/4885ITGB7 4382/4885ITGB1 4840/4885
US-20250206825-A1 COMPOSITION FOR PREVENTING OR TREATING MYOCARDITIS, COMPRISING VLA-4 INHIBITOR FABP3, TNNI3, MYLK2 ITGA4 8/4885ITGB7 210/4885ITGB1 51/4885
US-20260132139-A1 HIV INHIBITOR COMPOUNDS SLC11A2, SLC6A15, NHERF1 ITGA4 4051/4885ITGB7 1462/4885ITGB1 2118/4885

“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.