SCHEMBL6416213

SCHEMBL6416213

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccc(C(=O)O)c(-c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 2/20 0.52
▸ KLK5 Q9Y337 2/20 0.52
▸ SIRT2 Q8IXJ6 11/20 0.50
▸ SIRT1 Q96EB6 10/20 0.50
▸ SIRT5 Q9NXA8 3/20 0.50
▸ HDAC4 P56524 2/20 0.49
▸ HDAC1 Q13547 2/20 0.49
▸ MAPT P10636 1/20 0.48
▸ HDAC3 O15379 1/20 0.48
▸ HDAC7 Q8WUI4 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC10 Q969S8 1/20 0.48
▸ HDAC11 Q96DB2 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ HDAC9 Q9UKV0 1/20 0.48
▸ HDAC5 Q9UQL6 1/20 0.48
▸ SIRT3 Q9NTG7 4/20 0.48

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
SCHEMBL6707710 0.95 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL6707708 0.95 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12518250 0.84 KLK7 (0.56) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL6876847 0.83 HDAC1 (0.47) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL12514745 0.83 KLK7 (0.55) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL19219892 0.82 KLK7 (0.54) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL5654684 0.82 SIRT5 (0.55) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL13973839 0.81 KLK7 (0.54) KLK7KLK5SIRT2SIRT1SIRT5
SCHEMBL5970447 0.81 SIRT5 (0.60) SIRT2SIRT1SIRT5HDAC4HDAC1
SCHEMBL12518233 0.80 KLK7 (0.52) KLK7KLK5SIRT2SIRT1SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 KLK7 2815/4885KLK5 2344/4885SIRT2 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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