SCHEMBL7078802

SCHEMBL7078802

COC(=O)CC1Nc2ccc(C(=O)O)cc2CNC1=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.49
ITGAV P06756 12/20 0.49
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ITGA2B P08514 6/20 0.37
JAK2 O60674 1/20 0.35

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
SCHEMBL7075297 0.87 ITGB3 (0.57) ITGB3ITGAVMAPTKDM4EITGA2B
SCHEMBL7401262 0.86 ITGB3 (0.42) ITGB3ITGAVMAPTKDM4EJAK2
SCHEMBL7917615 0.85 ITGB3 (0.41) ITGB3ITGAVMAPTKDM4EJAK2
SCHEMBL8525635 0.82 JAK2 (0.46) ITGB3ITGAVMAPTKDM4EJAK2
SCHEMBL7399767 0.81 ALDH1A1 (0.40) ITGB3ITGAVMAPT
SCHEMBL4024909 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL5155928 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL4023860 0.80 ITGB3 (0.57) ITGB3ITGAVITGA2B
SCHEMBL7437328 0.78 ITGB3 (0.48) ITGB3ITGAVMAPTKDM4EITGA2B
SCHEMBL7437322 0.78 ITGB3 (0.48) ITGB3ITGAVMAPTKDM4EITGA2B

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 9 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-20020028812-A1 Phenylalanine derivatives CELLTECH CHIROSCIENCE LIMITED (GB) 2002-03-07 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 (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-20020028812-A1 Phenylalanine derivatives PAH, FPR1, VCAM1 ITGB3 18/4885ITGAV 53/4885MAPT 2071/4885
US-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST ITGB3 11/4885ITGAV 18/4885MAPT 4871/4885

“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.