SCHEMBL5970328

SCHEMBL5970328

CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)Nc2cccc(C(=O)O)c2)c(-c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.47
▸ TSHR P16473 1/20 0.47
▸ HDAC1 Q13547 6/20 0.46
▸ HDAC3 O15379 5/20 0.46
▸ HDAC4 P56524 5/20 0.46
▸ HDAC7 Q8WUI4 5/20 0.46
▸ HDAC2 Q92769 5/20 0.46
▸ HDAC10 Q969S8 5/20 0.46
▸ HDAC11 Q96DB2 5/20 0.46
▸ HDAC8 Q9BY41 5/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC9 Q9UKV0 5/20 0.46
▸ HDAC5 Q9UQL6 5/20 0.46
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ PLG P00747 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.42
▸ CPA1 P15085 1/20 0.42
▸ CPA2 P48052 1/20 0.42

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
SCHEMBL5970177 0.93 PLG (0.48) ALDH1A1TSHRHDAC1HDAC3HDAC4
SCHEMBL5970592 0.90 SIRT5 (0.54) ALDH1A1TSHRHDAC1HDAC3HDAC4
SCHEMBL5970138 0.90 RAB9A (0.49) ALDH1A1TSHRHDAC1HDAC3HDAC4
SCHEMBL5970128 0.88 SIRT5 (0.44) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5970151 0.88 CPA1 (0.46) ALDH1A1TSHRHDAC1HDAC3HDAC4
SCHEMBL5970296 0.86 CPA1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5970389 0.85 CPA1 (0.43) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5970573 0.84 SMN1; SMN2 (0.47) ALDH1A1TSHRMEN1KMT2APLG
SCHEMBL5970274 0.84 SIRT2 (0.52) HDAC1HDAC3HDAC4HDAC7HDAC2
SCHEMBL5970299 0.83 FNTA (0.46) HDAC1HDAC3HDAC4HDAC7HDAC2

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 11 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
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 ALDH1A1 29/4885TSHR 1898/4885HDAC1 562/4885

“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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