SCHEMBL2988750

SCHEMBL2988750

O=C1CC(=O)C12CCOCC2

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ EPHX2 P34913 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL6537752 0.89 ALDH1A1 (0.35) KDM4EL3MBTL1EPHX2ALDH1A1
SCHEMBL2982384 0.71 ALDH1A1 (0.33) L3MBTL1ALDH1A1
SCHEMBL16244843 0.69 KDM4E (0.33) KDM4EL3MBTL1EPHX2
SCHEMBL417593 0.63 CYP11B2 (0.33) KDM4EL3MBTL1
SCHEMBL2558905 0.61 ESR2 (0.35) KDM4EL3MBTL1
SCHEMBL22447830 0.59 IDO1 (0.35) KDM4EL3MBTL1
SCHEMBL8977432 0.59 LMNA (0.36) ALDH1A1
SCHEMBL16877327 0.57 TTR (0.42) ALDH1A1
SCHEMBL14506029 0.55 — —
SCHEMBL21863882 0.55 ALDH1A1 (0.44) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786177-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-08-31 — — US disclosed
US-7645770-B2 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2010-01-12 — — US disclosed
US-20090186914-A1 Phenylalanine Enamide Derivatives UCB PHARMA, S.A. (BE) 2009-07-23 — — US disclosed
US-7557130-B2 Bicyclic heteroaromatic alanines UCB PHARMA, S.A. (BE) 2009-07-07 — — US disclosed
US-7531549-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-05-12 — — US disclosed
US-20090105291-A1 Phenylalanine Enamide Derivatives RIGEL PHARMACEUTICALS, INC. (US) 2009-04-23 — — US disclosed
US-7501437-B2 Phenylalanine enamide derivatives UCB PHARMA, S.A. (BE) 2009-03-10 — — US disclosed
WO-2008125210-A1 QUINOLINE AND NAPHTHALENE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE IN TREATMENT OF INFLAMMATORY DISEASES UCB PHARMA, S.A. (BE) 2008-10-23 — — WO disclosed
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 disclosed
EP-1780201-A2 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R&D Limited (GB) 2007-05-02 — — EP disclosed
US-20070027174-A1 Phenylalanine Enamide Derivatives CELLTECH R&D LIMITED 2007-02-01 — — US disclosed
US-7122556-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2006-10-17 — — US disclosed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 — — US disclosed
US-6878718-B2 Phenylalanine enamide derivatives CELLTECH R&D LIMITED (GB) 2005-04-12 — — US disclosed
US-20050038084-A1 Phenylalanine enamide derivatives CELLTECH R&D LIMITED 2005-02-17 — — US disclosed
US-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. UCB PHARMA S.A. (BE) 2004-10-21 — — US disclosed
EP-1370531-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS Celltech R & D Limited (GB) 2003-12-17 — — EP disclosed
WO-2003011815-A1 BICYCLIC HETEROAROMATIC ALANINES CELLTECH R & D LIMITED (GB) 2003-02-13 — — WO disclosed
US-20020169336-A1 Phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2002-11-14 — — US disclosed
WO-2002068393-A1 PHENYLALANINE ENAMIDE DERIVATIVES POSSESSING A CYCLOBUTENE GROUP, FOR USE AS INTEGRIN INHIBITORS CELLTECH R & D LIMITED (GB) 2002-09-06 — — WO 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 (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-20070027174-A1 Phenylalanine Enamide Derivatives PAH, HRH3, AGTR2 KDM4E 1354/4885L3MBTL1 732/4885EPHX2 1067/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR KDM4E 1834/4885L3MBTL1 533/4885EPHX2 994/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B KDM4E 1689/4885L3MBTL1 871/4885EPHX2 851/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH KDM4E 1478/4885L3MBTL1 636/4885EPHX2 760/4885
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 KDM4E 3394/4885L3MBTL1 1375/4885EPHX2 739/4885
US-20040209913-A1 e.g., 3-[1-(3,5-Dichloroisonicotinoyl)-2,3-dihydro-1 H-indol-5-yl]-2-[(3-oxo-spiro[3.5]non-1-en-1-yl)amino]-propanoate; modulating cell adhesion for the prophylaxis or treatment of inflammatory diseases or disorders, such as rheumatoid arthritis, in which the extravasculation of leukocytes plays a role. ICAM1, VCAM1, CCR1 KDM4E 1601/4885L3MBTL1 1806/4885EPHX2 451/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR KDM4E 1834/4885L3MBTL1 533/4885EPHX2 994/4885

“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.

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