SCHEMBL12889802

SCHEMBL12889802

COC(=O)[C@H](Cc1ccc(-c2cc3ccccc3n(C)c2=O)cc1)NC(=O)c1c(C)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.57
ITGB1 P05556 19/20 0.57
ITGB7 P26010 19/20 0.57
ITGA2 P17301 1/20 0.47

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
SCHEMBL12889799 0.95 ITGA4 (0.54) ITGA4ITGB1ITGB7
SCHEMBL1240168 0.95 ITGA4 (0.54) ITGA4ITGB1ITGB7
SCHEMBL12889762 0.91 ITGA4 (0.48) ITGA4ITGB1ITGB7
SCHEMBL12889801 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL12889808 0.87 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL1241181 0.86 ITGA4 (0.65) ITGA4ITGB1ITGB7
SCHEMBL12889756 0.85 ITGA4 (0.51) ITGA4ITGB1ITGB7
SCHEMBL12889813 0.85 ITGA4 (0.56) ITGA4ITGB1ITGB7
SCHEMBL12889814 0.84 ITGA4 (0.44) ITGA4ITGB1ITGB7
SCHEMBL5160231 0.84 ITGA4 (0.68) ITGA4ITGB1ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
US-7884204-B2 such as (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-(4-hydroxy-1-methyl-2-oxo-1,2-dihydro-3-quinolinyl)phenyl]propionic acid, used for the teratment of inflammatory diseases, arthritis, inflammatory bowel diseases, lupus, multiple syndrome, asthma, psoriasis, allergies, diabetes and cardiovascular diseases AJINOMOTO CO., INC. (JP) 2011-02-08 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-20080280909-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-11-13 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 US disclosed
US-7250516-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2007-07-31 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-20080280909-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, VCAM1, ITGA4 ITGA4 3/4885ITGB1 7/4885ITGB7 38/4885

“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.