SCHEMBL5970333

SCHEMBL5970333

COC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)O)c(-c2cccc(O)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 5/20 0.45
▸ MEF2D Q14814 2/20 0.45
▸ SIRT2 Q8IXJ6 6/20 0.44
▸ SIRT1 Q96EB6 5/20 0.44
▸ SIRT5 Q9NXA8 5/20 0.44
▸ HPGDS O60760 1/20 0.43
▸ HDAC1 Q13547 3/20 0.43
▸ SIRT3 Q9NTG7 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ HDAC3 O15379 2/20 0.42
▸ HDAC7 Q8WUI4 2/20 0.42
▸ HDAC2 Q92769 2/20 0.42
▸ HDAC10 Q969S8 2/20 0.42
▸ HDAC11 Q96DB2 2/20 0.42
▸ HDAC8 Q9BY41 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ HDAC9 Q9UKV0 2/20 0.42
▸ HDAC5 Q9UQL6 2/20 0.42
▸ KLKB1 P03952 1/20 0.40
▸ MMP2 P08253 1/20 0.40

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
SCHEMBL5970983 0.91 SIRT5 (0.55) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970139 0.91 SIRT5 (0.55) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970300 0.91 SIRT5 (0.52) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970942 0.91 SIRT5 (0.52) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970372 0.88 SIRT5 (0.54) HDAC4SIRT2SIRT1SIRT5HDAC1
SCHEMBL5970269 0.88 HPGDS (0.43) HDAC4SIRT2SIRT1SIRT5HPGDS
SCHEMBL5970337 0.87 HDAC4 (0.44) HDAC4MEF2DSIRT2SIRT1SIRT5
SCHEMBL5970093 0.87 HPGDS (0.55) HDAC4MEF2DHPGDSHDAC1HDAC3
SCHEMBL5970251 0.85 SIRT5 (0.48) HDAC4MEF2DSIRT2SIRT1SIRT5
SCHEMBL5970241 0.85 SIRT5 (0.48) HDAC4MEF2DSIRT2SIRT1SIRT5

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 12 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-6849757-B2 Antiangiogenic drug to treat cancer, arthritis and retinopathy ABBOTT LABORATORIES (US) 2005-02-01 — — US 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
EP-1080070-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 2001-03-07 — — EP disclosed
WO-1999061406-A2 ANTIANGIOGENIC DRUG TO TREAT CANCER, ARTHRITIS AND RETINOPATHY ABBOTT LABORATORIES (US) 1999-12-02 — — 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-20040110959-A1 Antiangiogenic drug to treat cancer, arthritis and retinopathy FLT1, VEGFA, KDR HDAC4 1317/4885MEF2D 4317/4885SIRT2 1214/4885

“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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