SCHEMBL6944145

SCHEMBL6944145

COCCN(Cc1cc(C(=O)O)ccc1[N+](=O)[O-])C(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 8/20 0.47
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.42
CASP6 P55212 1/20 0.42
SNCA P37840 2/20 0.39
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL6944148 1.00 HCAR3 (0.47) HCAR3POLBMAPTHTTTSHR
SCHEMBL6948474 0.92 MAPT (0.43) HCAR3MAPTHTTSNCAALDH1A1
SCHEMBL8327809 0.88 POLB (0.44) HCAR3POLBTSHRCASP6SNCA
SCHEMBL8327806 0.88 POLB (0.44) HCAR3POLBTSHRCASP6SNCA
SCHEMBL6378384 0.85 ALDH1A1 (0.48) HCAR3POLBTSHRCASP6SNCA
SCHEMBL6377823 0.85 ALDH1A1 (0.48) HCAR3POLBTSHRCASP6SNCA
SCHEMBL28597694 0.85 POLB (0.43) HCAR3POLBMAPTTSHRCASP6
SCHEMBL6947602 0.84 PTGER4 (0.43) MAPTHTTALDH1A1
SCHEMBL8327873 0.84 POLB (0.44) HCAR3POLBTSHRCASP6SNCA
SCHEMBL8327876 0.84 POLB (0.44) HCAR3POLBTSHRCASP6SNCA

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 HCAR3 713/4885POLB 3057/4885MAPT 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.