SCHEMBL6225174

SCHEMBL6225174

O=C(O)c1cc(O)cc(NC2=NCCCN2)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.50
ITGAV P06756 18/20 0.50
ITGB6 P18564 5/20 0.50
ITGA2B P08514 11/20 0.47
ITGB1 P05556 7/20 0.47
ITGB5 P18084 7/20 0.47
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46

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
Hydrochloric Acid SCHEMBL6223237 0.99 ITGB3 (0.49) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6224327 0.92 ADRA2A (0.55) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL7752171 0.92 ITGB3 (0.50) ITGB3ITGAVITGB6ITGA2BITGB1
Formic Acid SCHEMBL15456443 0.87 ADRA2A (0.50) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL19265544 0.84 ITGB3 (0.63) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL30073956 0.81 ITGB3 (0.63) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6225428 0.81 ITGB3 (0.63) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL19090485 0.81 KDM4E (0.48) ITGB3ITGAVITGA2BITGB1ITGB5
SCHEMBL6228601 0.76 ITGB3 (0.55) ITGB3ITGAVITGB6ITGA2BITGB1
SCHEMBL6222030 0.76 ITGB3 (0.55) ITGB3ITGAVITGB6ITGB1ITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2875021-B1 BETA AMINO ACID DERIVATIVES AS INTEGRIN ANTAGONISTS UNIV SAINT LOUIS (US) 2017-08-23 EP disclosed
EP-1572210-A1 THE R-ISOMER OF BETA AMINO ACID COMPOUNDS AS INTEGRIN RECEPTOR ANTAGONISTS DERIVATIVES Pharmacia Corporation (US) 2005-09-14 EP disclosed
US-20050020505-A1 R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives PHARMACIA CORPORATION 2005-01-27 US 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
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 (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-20050020505-A1 R-isomer of beta amino acid compounds as integrin receptor antagonists derivatives ITGA5, ITGAL, ITGB5 ITGB3 9/4885ITGAV 4/4885ITGB6 6/4885

“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.