SCHEMBL6131691

SCHEMBL6131691

Nc1ccc(C[C@H](NC2=CC(=O)C23CCOCC3)C(=O)OCCO)cc1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.34
ITGB1 P05556 3/20 0.34
ITGA4 P13612 3/20 0.34
KCNH2 Q12809 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
ITGB7 P26010 1/20 0.31
PPID Q08752 1/20 0.30
HDAC1 Q13547 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
SCHEMBL6131686 0.89 PPID (0.41) CTSCITGB1ITGA4ITGB7PPID
SCHEMBL6131684 0.89 PPID (0.41) CTSCITGB1ITGA4ITGB7PPID
SCHEMBL6131690 0.87 PPID (0.34) CTSCITGB1ITGA4ITGB7PPID
SCHEMBL6131693 0.87 L3MBTL1 (0.36) ITGB1ITGA4ITGB7HDAC1
SCHEMBL4734985 0.79 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL4750224 0.78 ITGB1 (0.44) ITGB1ITGA4PPID
SCHEMBL4750220 0.78 ITGB1 (0.44) ITGB1ITGA4PPID
SCHEMBL6131675 0.76 MAPT (0.37) KCNH2
SCHEMBL6131689 0.74 L3MBTL1 (0.36) ITGA4ITGB7HDAC1
SCHEMBL6131706 0.71 ITGB1 (0.49) ITGB1ITGA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US claimed
EP-1525181-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 EP claimed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US claimed
WO-2004007428-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 WO claimed
US-6951943-B2 Process for the preparation of phenylalanine enamide derivatives CELLTECH R & D LIMITED (GB) 2005-10-04 US disclosed
EP-1525181-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES Celltech R & D Limited (GB) 2005-04-27 EP disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US disclosed
WO-2004007428-A1 PROCESS FOR THE PREPARATION OF PHENYLALANINE ENAMIDE DERIVATIVES CELLTECH R & D LIMITED (GB) 2004-01-22 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 (1 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-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives NPY2R, NPY1R, NPR1 CTSC 2400/4885ITGB1 4148/4885ITGA4 3960/4885

“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.