SCHEMBL7079346

SCHEMBL7079346

CC(=O)OC(=O)c1ccc2c(c1)CN(CCc1ccccc1)C(=O)CN2

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.43
ITGA2B P08514 12/20 0.43
ITGAV P06756 4/20 0.41
ACHE P22303 1/20 0.38
PARP1 P09874 1/20 0.37
PARP2 Q9UGN5 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
BRD4 O60885 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
Acetic Acid SCHEMBL7079341 0.88 ITGB3 (0.46) ITGB3ITGA2BITGAVACHEPARP1
SCHEMBL5193966 0.77 ACHE (0.47) ACHEPARP1PARP2BRD4ALDH1A1
SCHEMBL8466232 0.68 ITGB3 (0.63) ITGB3ITGA2BITGAV
SCHEMBL7397691 0.67 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL7397693 0.67 ITGB3 (0.65) ITGB3ITGA2BITGAV
SCHEMBL4024924 0.67 KDM4E (0.49) ITGB3ITGA2BITGAVBRD4ALDH1A1
SCHEMBL4022624 0.66 SRD5A1 (0.42) ITGB3ITGA2BITGAVBRD4ALDH1A1
SCHEMBL5193879 0.66 NOTUM (0.43) ITGB3ITGA2BACHEPARP1ALDH1A1
SCHEMBL4021864 0.66 ITGB3 (0.62) ITGB3ITGA2BITGAV
SCHEMBL5194517 0.66 KDM4E (0.56) ITGB3ITGA2BACHEBRD4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ITGB3 11/4885ITGA2B 13/4885ITGAV 18/4885

“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.