SCHEMBL6131672

SCHEMBL6131672

CCC(c1ccc(Nc2nccc3ccncc23)cc1)C(NC1=CC(=O)C12CCCCC2)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.38
ITGA4 P13612 3/20 0.38
CSNK2A1 P68400 3/20 0.30
CSNK2A2 P19784 2/20 0.30
CSNK2B P67870 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC6 Q9UBN7 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
SCHEMBL3832798 1.00 ITGB1 (0.38) ITGB1ITGA4CSNK2A1CSNK2A2CSNK2B
SCHEMBL3833845 0.88 ITGB1 (0.38) ITGB1ITGA4
SCHEMBL5574152 0.86 ITGB1 (0.42) ITGB1ITGA4
SCHEMBL5148512 0.85 ITGB1 (0.37) ITGB1ITGA4
SCHEMBL3833793 0.83 ITGB1 (0.38) ITGB1ITGA4
SCHEMBL2978998 0.82 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL5575175 0.82 ITGB1 (0.55) ITGB1ITGA4
SCHEMBL5149368 0.82 ITGB1 (0.34) ITGB1ITGA4CSNK2A1CSNK2A2CSNK2B
SCHEMBL3836800 0.80 ITGB1 (0.34) ITGB1ITGA4
SCHEMBL5148458 0.80 KDR (0.32) ITGB1ITGA4CSNK2A1CSNK2A2CSNK2B

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 2 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 disclosed
US-20040073033-A1 Process for the preparation of phenylalanine enamide derivatives UCB PHARMA S.A. (BE) 2004-04-15 US 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 ITGB1 4148/4885ITGA4 3960/4885CSNK2A1 585/4885

“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.