SCHEMBL5970141

SCHEMBL5970141

CC(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(=O)Nc2ccccc2C(=O)O)c(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 13/20 0.49
▸ SIRT1 Q96EB6 12/20 0.49
▸ SIRT3 Q9NTG7 4/20 0.49
▸ SIRT5 Q9NXA8 4/20 0.49

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
SCHEMBL5971002 0.91 SIRT2 (0.46) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970777 0.91 SIRT5 (0.51) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970274 0.89 SIRT2 (0.52) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970996 0.88 SIRT2 (0.45) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970296 0.84 CPA1 (0.43) SIRT5
SCHEMBL5971121 0.78 KDM4E (0.42) —
SCHEMBL12778874 0.77 SIRT2 (0.59) SIRT2SIRT1SIRT3SIRT5
SCHEMBL6416213 0.77 KLK7 (0.52) SIRT2SIRT1SIRT3SIRT5
SCHEMBL7867833 0.77 CA1 (0.42) SIRT2SIRT1SIRT3SIRT5
SCHEMBL5970389 0.76 CPA1 (0.43) SIRT5

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-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP claimed
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBVIE INC. 2004-06-10 — — US claimed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US claimed
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP claimed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — WO claimed
EP-1080070-B1 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LAB (US) 2006-11-22 — — EP disclosed
US-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US disclosed
US-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBVIE INC. 2004-06-10 — — US disclosed
US-6632961-B1 Pharmaceutically acceptable salts or prodrugs thereof, are useful for treating pathological states which arise from or are exacerbated by angiogenesis. The invention also relates to pharmaceutical compositions comprising these compounds and to ABBOTT LABORATORIES 2003-10-14 — — US 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-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy FLT1, VEGFA, KDR SIRT2 1214/4885SIRT1 454/4885SIRT3 1357/4885

“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.

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