SCHEMBL5970177

SCHEMBL5970177

CC(=O)N[C@@H](CCCCN)C(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)O)cc2)c(-c2ccccc2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.48
▸ KLKB1 P03952 1/20 0.44
▸ CPA1 P15085 1/20 0.43
▸ CPA2 P48052 1/20 0.43
▸ CPA4 Q9UI42 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HDAC1 Q13547 5/20 0.41
▸ HDAC3 O15379 4/20 0.41
▸ HDAC4 P56524 4/20 0.41
▸ HDAC7 Q8WUI4 4/20 0.41
▸ HDAC2 Q92769 4/20 0.41
▸ HDAC10 Q969S8 4/20 0.41
▸ HDAC11 Q96DB2 4/20 0.41
▸ HDAC8 Q9BY41 4/20 0.41
▸ HDAC6 Q9UBN7 4/20 0.41
▸ HDAC9 Q9UKV0 4/20 0.41
▸ HDAC5 Q9UQL6 4/20 0.41
▸ EHMT2 Q96KQ7 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
SCHEMBL5970328 0.93 ALDH1A1 (0.47) PLGCPA1CPA2CPA4HDAC1
SCHEMBL5970128 0.92 SIRT5 (0.44) PLGCPA1CPA2CPA4HDAC1
SCHEMBL5970573 0.90 SMN1; SMN2 (0.47) PLGKLKB1KDM4EMAPK1HSD17B10
SCHEMBL5970151 0.89 CPA1 (0.46) PLGKLKB1CPA1CPA2CPA4
SCHEMBL5970296 0.88 CPA1 (0.43) PLGCPA1CPA2CPA4KDM4E
SCHEMBL5970592 0.88 SIRT5 (0.54) CPA1CPA2CPA4HDAC1HDAC3
SCHEMBL5970389 0.86 CPA1 (0.43) PLGCPA1CPA2CPA4HDAC1
SCHEMBL5970138 0.85 RAB9A (0.49) MAPK1HSD17B10HDAC1HDAC3HDAC4
SCHEMBL5970299 0.84 FNTA (0.46) CPA1CPA2CPA4HDAC1HDAC3
SCHEMBL5970238 0.84 CPA1 (0.42) PLGCPA1CPA2CPA4HDAC1

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 PLG 485/4885KLKB1 2599/4885CPA1 551/4885

“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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