SCHEMBL8336456

SCHEMBL8336456

Cc1cc(Cl)cc([C@@H](CC(=O)O)NC(=O)CNC(=O)c2cccc(NC3=NCCN3)c2)c1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 1.00
ITGAV P06756 20/20 1.00
ITGB6 P18564 13/20 1.00
ITGB1 P05556 2/20 1.00
ITGA5 P08648 2/20 1.00
ITGB5 P18084 2/20 1.00
ITGB8 P26012 2/20 1.00
ITGA8 P53708 2/20 1.00

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
Trifluoroacetic Acid SCHEMBL6226209 0.96 ITGB3 (0.92) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7835721 0.92 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL7823462 0.91 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6810083 0.91 ITGB3 (0.91) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6226201 0.88 ITGB3 (0.79) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6778717 0.88 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL8337383 0.88 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6375005 0.87 ITGB3 (0.76) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6229334 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5
SCHEMBL6225649 0.87 ITGB3 (1.00) ITGB3ITGAVITGB6ITGB1ITGA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2020-06-25 US disclosed
US-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2020-03-03 US disclosed
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2019-01-24 US disclosed
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists SAINT LOUIS UNIVERSITY (US) 2018-07-31 US disclosed
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY 2018-03-15 US disclosed
WO-2017117538-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS SAINT LOUIS UNIVERSITY (US) 2017-07-06 WO disclosed
WO-2004060376-A1 THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES PHARMACIA CORPRATION (US) 2004-07-22 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 (5 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-10577330-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGAV 12/4885ITGB6 5/4885
US-20190023663-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGAV 12/4885ITGB6 5/4885
US-20200199079-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGAV 12/4885ITGB6 5/4885
US-20180072684-A1 META-AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS PAN INTEGRIN ANTAGONISTS ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGAV 12/4885ITGB6 5/4885
US-10035778-B2 Meta-azacyclic amino benzoic acid derivatives as pan integrin antagonists ITGA2, ITGAL, ITGA5 ITGB3 17/4885ITGAV 12/4885ITGB6 5/4885

“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.