SCHEMBL3821763

SCHEMBL3821763

COC(=O)[C@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)NC(=O)c1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 19/20 0.49
ITGA4 P13612 14/20 0.49
ITGA5 P08648 5/20 0.49
ITGB7 P26010 5/20 0.48
ITGA2 P17301 1/20 0.48
ITGB3 P05106 1/20 0.47
ITGAV P06756 1/20 0.47
GAA P10253 1/20 0.47
RAB9A P51151 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
SCHEMBL5784280 1.00 ITGB1 (0.49) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL8232423 1.00 ITGB1 (0.49) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL13851719 0.94 ITGB1 (0.55) ITGB1ITGA4ITGB7ITGA2
SCHEMBL919732 0.92 ITGB1 (0.49) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL919899 0.91 ITGB1 (0.47) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL4930145 0.90 ITGB1 (0.59) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL8244590 0.90 NOS2 (0.44) ITGB1ITGA4ITGA5GAARAB9A
SCHEMBL919553 0.86 ITGB1 (0.52) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL21540570 0.85 ITGB1 (0.48) ITGB1ITGA4ITGA5ITGB7ITGA2
SCHEMBL20025228 0.84 ITGB1 (0.59) ITGB1ITGA4ITGA5ITGB7ITGA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2091916-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS AstraZeneca AB (SE) 2009-08-26 EP disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
US-20090137601-A1 L-Phenylalanine Derivatives ASTRAZENECA AB (SE) 2009-05-28 US disclosed
EP-2049490-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL]-L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS Astra Zeneca AB (SE) 2009-04-22 EP disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
US-20080045521-A1 PHENYLALANINE DERIVATIVES ASTRAZENECA AB (SE) 2008-02-21 US disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007141473-A1 N-(BENZOYL)-O- [2- (PYRIDIN- 2 -YLAMINO) ETHYL] -L-TYROSINE DERIVATIVES AND RELATED COMPOUNDS AS A5B1 ANTAGONISTS FOR THE TREATMENT OF SOLID TUMORS ASTRAZENECA AB (SE) 2007-12-13 WO disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
WO-2007060408-A2 L-PHENYLALANINE DERIVATIVES AND THEIR USE AS INTEGRIN ANTAGONISTS ASTRAZENECA AB (SE) 2007-05-31 WO disclosed
EP-1049662-B1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO (JP) 2006-06-21 EP disclosed
US-6855843-B2 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2005-02-15 US disclosed
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion TANABE SEIYAKU CO., LTD. 2003-10-09 US disclosed
US-6521666-B1 Inhibitors of α4 mediated cell adhesion TANABE SEIYAKU CO., LTD. (JP) 2003-02-18 US disclosed
EP-1049662-A1 INHIBITORS OF ALPHA4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 2000-11-08 EP disclosed
WO-1999036393-A1 INHIBITORS OF α4 MEDIATED CELL ADHESION TANABE SEIYAKU CO., LTD. (JP) 1999-07-22 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 (3 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-20080045521-A1 PHENYLALANINE DERIVATIVES ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA4 27/4885ITGA5 7/4885
US-20030191118-A1 Inhibitors of alpha4 mediated cell adhesion ITGB4, ITGA4, VCAM1 ITGB1 7/4885ITGA4 2/4885ITGA5 52/4885
US-20090137601-A1 L-Phenylalanine Derivatives ITGB5, ITGB1, ITGA2B ITGB1 2/4885ITGA4 23/4885ITGA5 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.