SCHEMBL4818281

SCHEMBL4818281

O=C(N[C@@H](Cc1ccc(-n2c(=O)[nH]c3ncncc3c2=O)cc1)C(=O)O)c1c(Cl)cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.53
ITGB7 P26010 18/20 0.53
ITGB1 P05556 16/20 0.53

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
SCHEMBL4814898 0.83 ITGA4 (0.64) ITGA4ITGB7ITGB1
SCHEMBL24336796 0.81 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL4814330 0.80 ITGA4 (0.53) ITGA4ITGB7ITGB1
SCHEMBL13239498 0.79 ITGA4 (0.62) ITGA4ITGB7ITGB1
SCHEMBL4808821 0.79 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL181410 0.79 ITGA4 (0.55) ITGA4ITGB7ITGB1
SCHEMBL13819208 0.77 ITGA4 (0.71) ITGA4ITGB7ITGB1
SCHEMBL4325518 0.76 ITGA4 (0.56) ITGA4ITGB7ITGB1
SCHEMBL13819204 0.75 ITGA4 (0.69) ITGA4ITGB7ITGB1
SCHEMBL13819259 0.75 ITGA4 (0.54) ITGA4ITGB7ITGB1

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
EP-2803667-A1 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2014-11-19 EP disclosed
US-8309561-B2 N-(2,6-dichlorobenzoyl)-4-[1-methyl-7-(pyrrolidine-1-ylmethyl)-2,4-quinazoline-dione-3-yl]-L-phenylalanine trifluoroacetate; 4 integrin antagonist; antiinflammatory, anticarcinogenic agent, antiallergent; asthma, psoriasis, cardiovascular diseases, arterial sclerosis, restenosis, tumor proliferation AJINOMOTO CO., INC. (JP) 2012-11-13 US disclosed
US-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2008-05-08 US disclosed
US-7345049-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2008-03-18 US disclosed
EP-1700850-A1 NOVEL PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2006-09-13 EP disclosed
US-20050222141-A1 Novel phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2005-10-06 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 (2 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-20080108634-A1 NOVEL PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB7 13/4885ITGB1 10/4885
US-20050222141-A1 Novel phenylalanine derivatives ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB7 13/4885ITGB1 10/4885

“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.