Zaurategrast

Zaurategrast

SCHEMBL2976322

O=C(O)[C@H](Cc1ccc(Nc2nccc3ccncc23)cc1)NC1=C(Br)C(=O)C12CCCCC2

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 20/20 0.56
ITGA4 P13612 20/20 0.56
CYP3A4 P08684 3/20 0.55
CYP2C9 P11712 3/20 0.55

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
Zaurategrast SCHEMBL5571298 1.00 ITGB1 (0.56) ITGB1ITGA4CYP3A4CYP2C9
Ucb-1184197 SCHEMBL3833843 0.90 ITGB1 (0.47) ITGB1ITGA4CYP3A4CYP2C9
Ucb-1184197 SCHEMBL6131680 0.90 ITGB1 (0.47) ITGB1ITGA4CYP3A4CYP2C9
Ucb-1184197 SCHEMBL29373839 0.90 ITGB1 (0.47) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL2990251 0.90 ITGB1 (0.56) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL5573810 0.89 ITGB1 (0.45) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL2984149 0.89 ITGB1 (0.55) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL3884133 0.87 ITGB1 (0.58) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL2978337 0.87 ITGB1 (0.58) ITGB1ITGA4CYP3A4CYP2C9
SCHEMBL2978998 0.86 ITGB1 (0.55) ITGB1ITGA4CYP3A4CYP2C9

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 68 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230107927-A1 METHODS OF TREATING IATROGENIC AUTOIMMUNE COLITIS FIRST WAVE BIO, INC. 2023-04-06 US claimed
US-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR GLAS USA LLC 2023-02-02 US claimed
US-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP AESTUS THERAPEUTICS, INC. (US) 2014-12-04 US claimed
EP-2775840-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF 4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP Aestus Therapeutics, Inc. (US) 2014-09-17 EP claimed
WO-2013070842-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF α4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP AESTUS THERAPEUTICS, INC. (US) 2013-05-16 WO claimed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 US claimed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 US claimed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 US claimed
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders UCB PHARMA S.A. (BE) 2007-07-19 US claimed
EP-1525204-B1 PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R&D LTD (GB) 2007-07-18 EP claimed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 EP claimed
EP-1370531-B1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R&D LTD (GB) 2007-02-28 EP claimed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US claimed
EP-1525204-A1 PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 EP claimed
US-6878718-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2005-04-12 US claimed
US-20050038084-A1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED 2005-02-17 US claimed
US-6835738-B1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2004-12-28 US claimed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US claimed
WO-2004007494-A1 PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 WO claimed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20230033021-A1 TREATMENT OF A DISEASE OF THE GASTROINTESTINAL TRACT WITH AN INTEGRIN INHIBITOR ITGAL, ITGB2, ITGB1 ITGB1 3/4885ITGA4 17/4885CYP3A4 2163/4885
US-20140357654-A1 METHODS OF TREATING SCHIZOPHRENIA WITH PHENYLALANINE ENAMIDE DERIVATIVE INHIBITORS OF a4 INTEGRIN POSSESSING A CYCLOBUTENE GROUP ITGA4, ITGB4, EPB41 ITGB1 19/4885ITGA4 1/4885CYP3A4 1346/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ITGB1 100/4885ITGA4 513/4885CYP3A4 2115/4885
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 ITGB1 4148/4885ITGA4 3960/4885CYP3A4 179/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ITGB1 34/4885ITGA4 316/4885CYP3A4 1873/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ITGB1 61/4885ITGA4 443/4885CYP3A4 2065/4885
US-20070167483-A1 2-[(2-Isopropylsulfanyl-3-oxo-spiro[3.5]non-1-en-1-yl)amino]-3-[4-([2,7]naphthyridin-1-ylamino)phenyl]propanoic acid; compounds can inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immuno or inflammatory disorders ITGB2, VCAM1, ITGB1 ITGB1 3/4885ITGA4 40/4885CYP3A4 2977/4885

“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.