SCHEMBL2988949

SCHEMBL2988949

CCOC1=CC(=O)C1(C)Cc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 3/20 0.45
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ITGB2 P05107 1/20 0.35
ICAM1 P05362 1/20 0.35
ITGAL P20701 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PTPRC P08575 1/20 0.35
CDC25B P30305 1/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.34
PIK3CD O00329 1/20 0.34
GAA P10253 1/20 0.34
THRB P10828 1/20 0.34
MMP2 P08253 3/20 0.34
MMP9 P14780 3/20 0.34
MMP8 P22894 2/20 0.34
MMP13 P45452 2/20 0.34

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
SCHEMBL2973997 0.73 ELANE (0.50) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL29256181 0.71 ELANE (0.56) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL3284001 0.66 ELANE (0.55) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL28538161 0.66 ELANE (0.55) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL2978514 0.65 PTGS2 (0.38) ELANENPC1HPGDRAB9ASMN1; SMN2
SCHEMBL16174913 0.63 ELANE (0.51) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL16174950 0.63 ELANE (0.47) ELANEITGB2ICAM1ITGALALDH1A1
SCHEMBL16174938 0.63 ELANE (0.47) ELANEITGB2ICAM1ITGALMMP2
SCHEMBL17593127 0.62 ELANE (0.50) ELANESMN1; SMN2ITGB2ICAM1ITGAL
SCHEMBL21084790 0.61 ELANE (0.48) ELANEITGB2ICAM1ITGALALDH1A1

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 13 patents. 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-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
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-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
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
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 (5 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 ELANE 420/4885NPC1 2555/4885HPGD 1593/4885
US-20090105291-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ELANE 446/4885NPC1 3240/4885HPGD 1335/4885
US-20050038084-A1 Phenylalanine enamide derivatives PAH, ARRB1, ACVR2B ELANE 551/4885NPC1 2966/4885HPGD 1423/4885
US-20020169336-A1 Phenylalanine enamide derivatives CCR1, AHR, PAH ELANE 318/4885NPC1 2330/4885HPGD 1215/4885
US-20090186914-A1 Phenylalanine Enamide Derivatives PAH, HRH3, PRLHR ELANE 446/4885NPC1 3240/4885HPGD 1335/4885

“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.