SCHEMBL10329628

SCHEMBL10329628

CNc1ccc2c(c1)c(=O)n(-c1ccc(C[C@H](NC(=O)c3c(Cl)cccc3Cl)C(=O)OC)cc1)c(=O)n2C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 20/20 0.66
ITGB1 P05556 18/20 0.66
ITGB7 P26010 17/20 0.66
ITGA2 P17301 1/20 0.41

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
SCHEMBL13819416 0.94 ITGA4 (0.63) ITGA4ITGB1ITGB7ITGA2
SCHEMBL10329632 0.93 ITGA4 (0.65) ITGA4ITGB1ITGB7ITGA2
SCHEMBL13819338 0.91 ITGA4 (0.69) ITGA4ITGB1ITGB7
SCHEMBL6015064 0.91 ITGA4 (0.69) ITGA4ITGB1ITGB7
SCHEMBL17117095 0.89 ITGA4 (0.67) ITGA4ITGB1ITGB7
SCHEMBL16489169 0.88 ITGA4 (0.65) ITGA4ITGB1ITGB7
SCHEMBL10329614 0.88 ITGA4 (0.65) ITGA4ITGB1ITGB7
SCHEMBL12955399 0.88 ITGA4 (0.85) ITGA4ITGB1ITGB7
SCHEMBL10329624 0.88 ITGA4 (0.85) ITGA4ITGB1ITGB7
SCHEMBL13819418 0.87 ITGA4 (0.70) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518441-B2 Solid dispersions or solid dispersion pharmaceutical preparations of phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-08-27 US disclosed
US-8518441-B2 Solid dispersions or solid dispersion pharmaceutical preparations of phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2013-08-27 US disclosed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
US-8426588-B2 Phenylalanine derivatives AJINOMOTO CO, INC. (JP) 2013-04-23 US disclosed
EP-2554169-A1 PHARMACEUTICAL PREPARATION COMPRISING PHENYLALANINE DERIVATIVE Ajinomoto Co., Inc. (JP) 2013-02-06 EP disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2012-10-04 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-8222405-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2012-07-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
US-20110065918-A1 NEW PHENYLALANINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-03-17 US disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 US disclosed
US-7872125-B2 Phenylalanine derivatives AJINOMOTO CO., INC. (JP) 2011-01-18 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-20110065918-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB1 13/4885ITGB7 20/4885
US-20120253041-A1 NEW PHENYLALANINE DERIVATIVES ITGB4, ITGA4, ITGAV ITGA4 2/4885ITGB1 13/4885ITGB7 20/4885

“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.